| SpectraBase Compound ID | HF9cXNM8k2b |
|---|---|
| InChI | InChI=1S/C11H10O2S/c1-3-8-13-11(12)9-4-6-10(14-2)7-5-9/h1,4-7H,8H2,2H3 |
| InChIKey | QXZDEONLYMLUOA-UHFFFAOYSA-N |
| Mol Weight | 206.26 g/mol |
| Molecular Formula | C11H10O2S |
| Exact Mass | 206.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yYA7mAZHtc |
|---|---|
| Name | Benzoic acid, 4-(methylthio)-, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.040150734 u |
| Formula | C11H10O2S |
| InChI | InChI=1S/C11H10O2S/c1-3-8-13-11(12)9-4-6-10(14-2)7-5-9/h1,4-7H,8H2,2H3 |
| InChIKey | QXZDEONLYMLUOA-UHFFFAOYSA-N |
| Molecular Weight | 206.259 g/mol |
| SMILES | C1(=CC=C(C=C1)SC)C(OCC#C)=O |