| SpectraBase Compound ID | 2wAxhl7mhE4 |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10+ |
| InChIKey | LXJSFBJEYLPDJS-JLHYYAGUSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArwqBsUDNx0 |
|---|---|
| Name | Cassamic acid |
| CAS Registry Number | 471-70-5 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10+ |
| InChIKey | LXJSFBJEYLPDJS-JLHYYAGUSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | J.D. Connolly, F. Orsini, F. Pelizzoni, Org. Magn. Resonance 17, 163 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |