| SpectraBase Compound ID | L5NS1YOsVob |
|---|---|
| InChI | InChI=1S/C10H12OS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | AMQQWFLSHDKPPI-UHFFFAOYSA-N |
| Mol Weight | 180.26 g/mol |
| Molecular Formula | C10H12OS |
| Exact Mass | 180.060886 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7MPuSLfDh4V |
|---|---|
| Name | 4-(Phenylthio)-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.060886179 u |
| Formula | C10H12OS |
| InChI | InChI=1S/C10H12OS/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | AMQQWFLSHDKPPI-UHFFFAOYSA-N |
| Molecular Weight | 180.265 g/mol |
| SMILES | C=1C(=CC=CC1)SCCC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.77707 |