| SpectraBase Compound ID | LGcDO3Vgppa |
|---|---|
| InChI | InChI=1S/C13H18O3S2/c1-4-5-9(14)12-10(15)6-8(13(16)18-3)7-11(12)17-2/h8H,4-7H2,1-3H3 |
| InChIKey | DJOSCYIQARGIRA-UHFFFAOYSA-N |
| Mol Weight | 286.4 g/mol |
| Molecular Formula | C13H18O3S2 |
| Exact Mass | 286.069737 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Bd8ECoBj3gf |
|---|---|
| Name | 3-Cyclohexene-1-carbothioic acid, 3-(methylthio)-5-oxo-4-(1-oxobutyl)-, S-methyl ester |
| CAS Registry Number | 120074-23-9 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H18O3S2 |
| InChI | InChI=1S/C13H18O3S2/c1-4-5-9(14)12-10(15)6-8(13(16)18-3)7-11(12)17-2/h8H,4-7H2,1-3H3 |
| InChIKey | DJOSCYIQARGIRA-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |