![1-Benzoxirene, 1a-[(phenylsulfonyl)methyl] perhydro](/api/spectrum/LJfLtkmmuB9/structure.png?h=300&w=458 "1-Benzoxirene, 1a-[(phenylsulfonyl)methyl] perhydro")
| SpectraBase Compound ID | 9oG5i1u2ID4 |
|---|---|
| InChI | InChI=1S/C13H16O3S/c14-17(15,11-6-2-1-3-7-11)10-13-9-5-4-8-12(13)16-13/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | XXLPVVCXSVOQHT-UHFFFAOYSA-N |
| Mol Weight | 252.33 g/mol |
| Molecular Formula | C13H16O3S |
| Exact Mass | 252.082016 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LJfLtkmmuB9 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16O3S |
| InChI | InChI=1S/C13H16O3S/c14-17(15,11-6-2-1-3-7-11)10-13-9-5-4-8-12(13)16-13/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | XXLPVVCXSVOQHT-UHFFFAOYSA-N |
| Molecular Weight | 252.0816 |
| SMILES | C12OC2(CS(=O)(=O)c2ccccc2)CCCC1 |
| SPLASH | splash10-03dl-9200000000-e4399eddee2a712a4c46 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |