| SpectraBase Compound ID | JwYFcmgqLOB |
|---|---|
| InChI | InChI=1S/C14H14O3S/c1-17-14(15)11-6-5-9-13(10-11)18(16)12-7-3-2-4-8-12/h2-4,6-9H,5,10H2,1H3 |
| InChIKey | WAIZOXUWNFCBGV-UHFFFAOYSA-N |
| Mol Weight | 262.32 g/mol |
| Molecular Formula | C14H14O3S |
| Exact Mass | 262.066365 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4p6VBXuYS |
|---|---|
| Name | Methyl 5-(Phenylsulfinyl)-1,4-cyclohexadiene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H14O3S |
| InChI | InChI=1S/C14H14O3S/c1-17-14(15)11-6-5-9-13(10-11)18(16)12-7-3-2-4-8-12/h2-4,6-9H,5,10H2,1H3 |
| InChIKey | WAIZOXUWNFCBGV-UHFFFAOYSA-N |
| Molecular Weight | 262.323 g/mol |
| SMILES | C=1(S(=O)c2ccccc2)CC(C(=O)OC)=CCC1 |
| SPLASH | splash10-074j-9020000000-fcf0d0a7ed2b61ee9e9d |
| Source of Spectrum | QA-47-88-8 |
| Wiley ID | 863317 |