| SpectraBase Compound ID | JeGXWeHOfbM |
|---|---|
| InChI | InChI=1S/C17H18O5S/c1-13-8-10-15(11-9-13)23(19,20)22-16(17(18)21-2)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3 |
| InChIKey | ZEEKHFTYFLFSQV-UHFFFAOYSA-N |
| Mol Weight | 334.39 g/mol |
| Molecular Formula | C17H18O5S |
| Exact Mass | 334.087495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7kc57l5XSIs |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H18O5S |
| InChI | InChI=1S/C17H18O5S/c1-13-8-10-15(11-9-13)23(19,20)22-16(17(18)21-2)12-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3 |
| InChIKey | ZEEKHFTYFLFSQV-UHFFFAOYSA-N |
| Molecular Weight | 334.0870 |
| SMILES | c1(CC(OS(c2ccc(C)cc2)(=O)=O)C(OC)=O)ccccc1 |
| SPLASH | splash10-03dl-5900000000-91c78cca5ff772076655 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |