| SpectraBase Compound ID | 1gNALJwRXmo |
|---|---|
| InChI | InChI=1S/C11H14OS2/c12-11(14-8-4-7-13)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2 |
| InChIKey | RTPGQDDCOMYNHT-UHFFFAOYSA-N |
| Mol Weight | 226.35 g/mol |
| Molecular Formula | C11H14OS2 |
| Exact Mass | 226.048607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JwlXWd6jPHB |
|---|---|
| Name | PHENYLTHIOACETIC ACID, S-(3-MERCAPTO-PROPYL) ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H14OS2 |
| InChI | InChI=1S/C11H14OS2/c12-11(14-8-4-7-13)9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2 |
| InChIKey | RTPGQDDCOMYNHT-UHFFFAOYSA-N |
| Molecular Weight | 226.0483 |
| SMILES | SCCCSC(=O)Cc1ccccc1 |
| SPLASH | splash10-0006-9300000000-efa9a0ce0b16a14a5f77 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |