![N-[2-(methylthio)ethyl]benzamide](/api/spectrum/5kWuEJtMnFM/structure.png?h=300&w=458 "N-[2-(methylthio)ethyl]benzamide")
| SpectraBase Compound ID | LEKCVi5XNO |
|---|---|
| InChI | InChI=1S/C10H13NOS/c1-13-8-7-11-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12) |
| InChIKey | GHIAUVZYVRINER-UHFFFAOYSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C10H13NOS |
| Exact Mass | 195.071785 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5kWuEJtMnFM |
|---|---|
| Name | N-[2-(Methylthio)ethyl]benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.071785216 u |
| Formula | C10H13NOS |
| InChI | InChI=1S/C10H13NOS/c1-13-8-7-11-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12) |
| InChIKey | GHIAUVZYVRINER-UHFFFAOYSA-N |
| Molecular Weight | 195.280 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)NCCSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968532 |