![1-[(p-Chlorophenyl)thio]-4-methoxy-2-butanone](/api/spectrum/LtQjx7gD2Kl/structure.png?h=300&w=458 "1-[(p-Chlorophenyl)thio]-4-methoxy-2-butanone")
| SpectraBase Compound ID | 9PqiyO3WM0H |
|---|---|
| InChI | InChI=1S/C11H13ClO2S/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5H,6-8H2,1H3 |
| InChIKey | CPIZEGOHWOJXDH-UHFFFAOYSA-N |
| Mol Weight | 244.74 g/mol |
| Molecular Formula | C11H13ClO2S |
| Exact Mass | 244.032479 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LtQjx7gD2Kl |
|---|---|
| Name | 1-[(p-Chlorophenyl)thio]-4-methoxy-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.032478531 u |
| Formula | C11H13ClO2S |
| InChI | InChI=1S/C11H13ClO2S/c1-14-7-6-10(13)8-15-11-4-2-9(12)3-5-11/h2-5H,6-8H2,1H3 |
| InChIKey | CPIZEGOHWOJXDH-UHFFFAOYSA-N |
| Molecular Weight | 244.736 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)SCC(=O)CCOC |
| Spectrum/Structure Validation Score (Raman) | 0.943101 |