| SpectraBase Compound ID | LEQ3sd2eMNk |
|---|---|
| InChI | InChI=1S/C12H11NO3S/c1-2-16-12(15)9-7-17-11(13-9)8-5-3-4-6-10(8)14/h3-7,14H,2H2,1H3 |
| InChIKey | YICNUAPUQPAMGG-UHFFFAOYSA-N |
| Mol Weight | 249.28 g/mol |
| Molecular Formula | C12H11NO3S |
| Exact Mass | 249.045964 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5j4L7robaut |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H11NO3S |
| InChI | InChI=1S/C12H11NO3S/c1-2-16-12(15)9-7-17-11(13-9)8-5-3-4-6-10(8)14/h3-7,14H,2H2,1H3 |
| InChIKey | YICNUAPUQPAMGG-UHFFFAOYSA-N |
| Molecular Weight | 249.0457 |
| SMILES | Oc1ccccc1-c1scc(C(OCC)=O)n1 |
| SPLASH | splash10-0udj-1290000000-d33db9bea367fc526e8d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |