| SpectraBase Compound ID | 8YQjtiNM5eS |
|---|---|
| InChI | InChI=1S/C13H18O3S/c1-16-13(15)12(17-2)11(14)9-8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3 |
| InChIKey | LHZUIGMNPFIWFU-UHFFFAOYSA-N |
| Mol Weight | 254.34 g/mol |
| Molecular Formula | C13H18O3S |
| Exact Mass | 254.097666 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ClBjH7oUTSO |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H18O3S |
| InChI | InChI=1S/C13H18O3S/c1-16-13(15)12(17-2)11(14)9-8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3 |
| InChIKey | LHZUIGMNPFIWFU-UHFFFAOYSA-N |
| Molecular Weight | 254.0972 |
| SMILES | OC(C(C(=O)OC)SC)CCc1ccccc1 |
| SPLASH | splash10-00di-9800000000-954d2917b36853f05b99 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |