| SpectraBase Compound ID | HABcvh4NiDQ |
|---|---|
| InChI | InChI=1S/C9H8O6S.Na/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14;/h1-6H,(H,10,11)(H,12,13,14);/q;+1/p-1/b5-4+; |
| InChIKey | XQZXGSZBWLTCNU-FXRZFVDSSA-M |
| Mol Weight | 266.2 g/mol |
| Molecular Formula | C9H7NaO6S |
| Exact Mass | 265.986103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRuoSUssBFf |
|---|---|
| Name | SODIUM-TRANS-META-COUMARIC-ACID-3-O-SULFATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H7NaO6S |
| InChI | InChI=1S/C9H8O6S.Na/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14;/h1-6H,(H,10,11)(H,12,13,14);/q;+1/p-1/b5-4+; |
| InChIKey | XQZXGSZBWLTCNU-FXRZFVDSSA-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 | 266.201 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK3450 |