| SpectraBase Compound ID | JsB7coGfr30 |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | VRZVPALEJCLXPR-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IETjIuxJPQb |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H9D3O3S |
| InChI | InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | VRZVPALEJCLXPR-UHFFFAOYSA-N |
| Molecular Weight | 200.0504 |
| SMILES | c1(S(OCC)(=O)=O)ccc(C)cc1 |
| SPLASH | splash10-00kf-9310000000-b10c68381cbea8b53da9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |