| SpectraBase Compound ID | HzQ85KGDVd4 |
|---|---|
| InChI | InChI=1S/C13H14O4S/c1-16-12(14)8-11(9-13(15)17-2)18-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8- |
| InChIKey | JWOPMCZHYGYOFX-FLIBITNWSA-N |
| Mol Weight | 266.31 g/mol |
| Molecular Formula | C13H14O4S |
| Exact Mass | 266.06128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7Kta6egBCGP |
|---|---|
| Name | (Z)Methyl 3-(phenylthio)-4-(methoxycarbonyl)but-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.061280101 u |
| Formula | C13H14O4S |
| InChI | InChI=1S/C13H14O4S/c1-16-12(14)8-11(9-13(15)17-2)18-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3/b11-8- |
| InChIKey | JWOPMCZHYGYOFX-FLIBITNWSA-N |
| SMILES | C(\C(=C\C(=O)OC)SC=1C=CC=CC1)C(=O)OC |