| SpectraBase Compound ID | 3AZxrdW0yOb |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-3-8-14(11,12)10-6-4-9(13-2)5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | YKZKONPDRQFLCO-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jacsRjln98 |
|---|---|
| Name | Benzenesulfinic acid, 4-methoxy-, 2-propenyl ester, (.+-.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c1-3-8-14(11,12)10-6-4-9(13-2)5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | YKZKONPDRQFLCO-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C=1(S(=O)(=O)CC=C)C=CC(=CC1)OC |