![{[2-(cyanomethyl)-4,5-(methylenedioxy)benzyl]thio}acetic acid](/api/spectrum/DSyN1MZFYTP/structure.png?h=300&w=458 "{[2-(cyanomethyl)-4,5-(methylenedioxy)benzyl]thio}acetic acid")
| SpectraBase Compound ID | CEWQSMpalwL |
|---|---|
| InChI | InChI=1S/C13H13NO4S/c1-16-13(15)7-19-6-10-5-12-11(17-8-18-12)4-9(10)2-3-14/h4-5H,2,6-8H2,1H3 |
| InChIKey | MVGZOVOXKBNMKP-UHFFFAOYSA-N |
| Mol Weight | 279.31 g/mol |
| Molecular Formula | C13H13NO4S |
| Exact Mass | 279.056529 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DSyN1MZFYTP |
|---|---|
| Name | {[2-(cyanomethyl)-4,5-(methylenedioxy)benzyl]thio}acetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13NO4S |
| InChI | InChI=1S/C13H13NO4S/c1-16-13(15)7-19-6-10-5-12-11(17-8-18-12)4-9(10)2-3-14/h4-5H,2,6-8H2,1H3 |
| InChIKey | MVGZOVOXKBNMKP-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 8192M |
| Solvent | CDCl3 |