| SpectraBase Compound ID | 1kOXit8lisn |
|---|---|
| InChI | InChI=1S/C14H11ClO2S/c15-11-6-8-12(9-7-11)17-14(16)10-18-13-4-2-1-3-5-13/h1-9H,10H2 |
| InChIKey | RODRARCUWYZGJA-UHFFFAOYSA-N |
| Mol Weight | 278.75 g/mol |
| Molecular Formula | C14H11ClO2S |
| Exact Mass | 278.016828 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KQHyFUwpydX |
|---|---|
| Name | Phenylthioacetic acid, 4-chlorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.016828466 u |
| Formula | C14H11ClO2S |
| InChI | InChI=1S/C14H11ClO2S/c15-11-6-8-12(9-7-11)17-14(16)10-18-13-4-2-1-3-5-13/h1-9H,10H2 |
| InChIKey | RODRARCUWYZGJA-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)SCC(OC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931681 |