| SpectraBase Compound ID | 1jSOzngiIo |
|---|---|
| InChI | InChI=1S/C14H14O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3 |
| InChIKey | YMOQFMYBDGVJKE-UHFFFAOYSA-N |
| Mol Weight | 246.32 g/mol |
| Molecular Formula | C14H14O2S |
| Exact Mass | 246.071451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7ZCidVD2VJQ |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H14O2S |
| InChI | InChI=1S/C14H14O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3 |
| InChIKey | YMOQFMYBDGVJKE-UHFFFAOYSA-N |
| Molecular Weight | 246.0711 |
| SMILES | c1(S(c2ccc(CC)cc2)(=O)=O)ccccc1 |
| SPLASH | splash10-0fi0-7920000000-544f8fa9e2e91ce63f22 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |