| SpectraBase Compound ID | 5u0UMUPQMwT |
|---|---|
| InChI | InChI=1S/C9H8O7S.Na/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15;/h1-5,10H,(H,11,12)(H,13,14,15);/q;+1/p-1/b4-2+; |
| InChIKey | NVQRXTIHMGDTJO-VEELZWTKSA-M |
| Mol Weight | 282.2 g/mol |
| Molecular Formula | C9H7NaO7S |
| Exact Mass | 281.981018 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | B2FzWt9KCqf |
|---|---|
| Name | SODIUM-TRANS-CAFFEIC-ACID-4-O-SULFATE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H7NaO7S |
| InChI | InChI=1S/C9H8O7S.Na/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15;/h1-5,10H,(H,11,12)(H,13,14,15);/q;+1/p-1/b4-2+; |
| InChIKey | NVQRXTIHMGDTJO-VEELZWTKSA-M |
| Literature Reference Author | T.NAKAZAWA,K.OHSAWA |
| Literature Reference Citation | J.NAT.PROD.,61,993(1998) |
| Literature Reference DOI | 10.1021/np980072s |
| Molecular Weight | 282.200 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWRK3449 |