| SpectraBase Compound ID | BpCcinU0Isl |
|---|---|
| InChI | InChI=1S/C16H16O3S2/c1-20-13-9-11(16(19)21-2)8-12(17)14(13)15(18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | HSOCCMWGYDXSHD-UHFFFAOYSA-N |
| Mol Weight | 320.42 g/mol |
| Molecular Formula | C16H16O3S2 |
| Exact Mass | 320.054087 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Gk94IMZQ71O |
|---|---|
| Name | 3-Cyclohexene-1-carbothioic acid, 4-benzoyl-3-(methylthio)-5-oxo-,S-methyl ester |
| CAS Registry Number | 120074-32-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H16O3S2 |
| InChI | InChI=1S/C16H16O3S2/c1-20-13-9-11(16(19)21-2)8-12(17)14(13)15(18)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | HSOCCMWGYDXSHD-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 88 C |
| Technique | KBr-Pellet |