| SpectraBase Compound ID | 9BoZ8Jv4SU9 |
|---|---|
| InChI | InChI=1S/C11H11ClO2S/c1-8(6-11(13)14-2)15-10-5-3-4-9(12)7-10/h3-7H,1-2H3/b8-6+ |
| InChIKey | IAJURXFUNWTCQH-SOFGYWHQSA-N |
| Mol Weight | 242.72 g/mol |
| Molecular Formula | C11H11ClO2S |
| Exact Mass | 242.016828 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AyRcPI4rZ31 |
|---|---|
| Name | 3-(3-Chlorophenylsulfanyl)but-2-enoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H11ClO2S |
| InChI | InChI=1S/C11H11ClO2S/c1-8(6-11(13)14-2)15-10-5-3-4-9(12)7-10/h3-7H,1-2H3/b8-6+ |
| InChIKey | IAJURXFUNWTCQH-SOFGYWHQSA-N |
| Molecular Weight | 242.720 g/mol |
| SMILES | c1(S\C(=C\C(=O)OC)C)cc(Cl)ccc1 |
| SPLASH | splash10-01ox-3940000000-31ffa58325ea4c07d175 |
| Source of Spectrum | F4-41-299-2d |
| Wiley ID | 1671775 |