| SpectraBase Compound ID | 5EWp66uazLc |
|---|---|
| InChI | InChI=1S/C14H18O12S/c1-23-8-4-6(13(18)19)2-3-7(8)25-14-12(17)11(16)10(15)9(26-14)5-24-27(20,21)22/h2-4,9-12,14-17H,5H2,1H3,(H,18,19)(H,20,21,22)/t9-,10-,11+,12-,14-/m1/s1 |
| InChIKey | YHVRMRPNSSPKAB-YGEZULPYSA-N |
| Mol Weight | 410.35 g/mol |
| Molecular Formula | C14H18O12S |
| Exact Mass | 410.051897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vAffG9ci43 |
|---|---|
| Name | Vannilic acid, 4-O-B-D-glucopyranoside 6'-sulfate |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H18O12S |
| InChI | InChI=1S/C14H18O12S/c1-23-8-4-6(13(18)19)2-3-7(8)25-14-12(17)11(16)10(15)9(26-14)5-24-27(20,21)22/h2-4,9-12,14-17H,5H2,1H3,(H,18,19)(H,20,21,22)/t9-,10-,11+,12-,14-/m1/s1 |
| InChIKey | YHVRMRPNSSPKAB-YGEZULPYSA-N |
| Instrument Name | Bruker WM-300 |
| Literature Reference | H. Schildknecht, G.M. Kresbach, Chemiker-Zeitung 108, 399 (1984). |
| NMR Standard | TMS-PRSO3 Na |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |