| SpectraBase Compound ID | 4rEI4HK6UhV |
|---|---|
| InChI | InChI=1S/C17H18O4S/c1-2-13(18)16-14(19)8-12(9-15(16)20)17(21)22-10-11-6-4-3-5-7-11/h3-7,12,19H,2,8-10H2,1H3 |
| InChIKey | TZTOHPYLRBCNFV-UHFFFAOYSA-N |
| Mol Weight | 318.39 g/mol |
| Molecular Formula | C17H18O4S |
| Exact Mass | 318.09258 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | siBtRd4QxS |
|---|---|
| Name | 3-Cyclohexene-1-carbothioic acid, 3-hydroxy-5-oxo-4-(1-oxopropyl)-,S-(phenylmethyl) ester |
| CAS Registry Number | 120074-20-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H18O4S |
| InChI | InChI=1S/C17H18O4S/c1-2-13(18)16-14(19)8-12(9-15(16)20)17(21)22-10-11-6-4-3-5-7-11/h3-7,12,19H,2,8-10H2,1H3 |
| InChIKey | TZTOHPYLRBCNFV-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |