H-b-H5e (C16 H18 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 274.31172
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: 48 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.58 | 1 |
| C10 | G | 61.32 | 1 |
| C15 | A | 73.89 | 1 |
| C16 | B | 82.25 | 1 |
| C6 | A3 | 115.52 | 1 |
| C7 | A5 | 115.52 | 1 |
| C8 | B3 | 116.79 | 1 |
| C9 | B5 | 116.79 | 1 |
| C4 | A2 | 127.71 | 1 |
| C5 | A6 | 127.71 | 1 |
| C2 | B2 | 130.18 | 1 |
| C3 | B6 | 130.18 | 1 |
| C11 | B1 | 131.41 | 1 |
| C12 | A1 | 132.13 | 1 |
| C13 | A4 | 155.78 | 1 |
| C14 | B4 | 155.53 | 1 |
| H22 | BA | 2.25 | 1 |
| H23 | BA | 2.25 | 1 |
| H21 | BA | 2.25 | 1 |
| H32 | G1 | 3.80 | 1 |
| H33 | G2 | 3.90 | 1 |
| H34 | B | 4.28 | 1 |
| H35 | A | 4.98 | 1 |
| H28 | A3 | 6.74 | 1 |
| H29 | A5 | 6.74 | 1 |
| H30 | B3 | 6.74 | 1 |
| H31 | B5 | 6.74 | 1 |
| H26 | A2 | 7.02 | 1 |
| H27 | A6 | 7.02 | 1 |
| H24 | B2 | 7.20 | 1 |
| H25 | B6 | 7.20 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.45 | 1 |
| C10 | G | 61.90 | 1 |
| C15 | A | 73.81 | 1 |
| C16 | B | 84.15 | 1 |
| C6 | A3 | 115.50 | 1 |
| C7 | A5 | 115.50 | 1 |
| C8 | B3 | 117.33 | 1 |
| C9 | B5 | 117.33 | 1 |
| C4 | A2 | 128.89 | 1 |
| C5 | A6 | 128.89 | 1 |
| C2 | B2 | 130.44 | 1 |
| C3 | B6 | 130.44 | 1 |
| C11 | B1 | 130.61 | 1 |
| C12 | A1 | 133.98 | 1 |
| C13 | A4 | 157.43 | 1 |
| C14 | B4 | 157.65 | 1 |
| H22 | BA | 2.19 | 1 |
| H23 | BA | 2.19 | 1 |
| H21 | BA | 2.19 | 1 |
| H32 | G1 | 3.77 | 1 |
| H33 | G2 | 3.85 | 1 |
| H34 | B | 4.34 | 1 |
| H35 | A | 4.89 | 1 |
| H28 | A3 | 6.78 | 1 |
| H29 | A5 | 6.78 | 1 |
| H30 | B3 | 6.78 | 1 |
| H31 | B5 | 6.78 | 1 |
| H26 | B2 | 6.99 | 1 |
| H27 | B6 | 6.99 | 1 |
| H24 | A2 | 7.28 | 1 |
| H25 | A6 | 7.28 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.07 | 1 |
| C10 | G | 60.07 | 1 |
| C15 | A | 71.36 | 1 |
| C16 | B | 83.58 | 1 |
| C6 | A3 | 114.46 | 1 |
| C7 | A5 | 114.46 | 1 |
| C8 | B3 | 116.22 | 1 |
| C9 | B5 | 116.22 | 1 |
| C4 | A2 | 128.01 | 1 |
| C5 | A6 | 128.01 | 1 |
| C2 | B2 | 129.52 | 1 |
| C3 | B6 | 129.52 | 1 |
| C11 | B1 | 129.03 | 1 |
| C12 | A1 | 132.76 | 1 |
| C13 | A4 | 156.25 | 1 |
| C14 | B4 | 156.67 | 1 |