| SpectraBase Compound ID | CVwuXb4Dj7y |
|---|---|
| InChI | InChI=1S/C11H13ClO2S/c1-15-8-2-7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3 |
| InChIKey | DPKMIROPJKIOGH-UHFFFAOYSA-N |
| Mol Weight | 244.74 g/mol |
| Molecular Formula | C11H13ClO2S |
| Exact Mass | 244.032479 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2If9oMrgx6Y |
|---|---|
| Name | 3-(Methylthio)propyl 4-chlorobenzoate |
| 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/c1-15-8-2-7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3 |
| InChIKey | DPKMIROPJKIOGH-UHFFFAOYSA-N |
| Molecular Weight | 244.736 g/mol |
| SMILES | CSCCCOC(C1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905096 |