| SpectraBase Compound ID | Inuqf1A8vNv |
|---|---|
| InChI | InChI=1S/C20H24N2O2S/c1-2-9-19(23)22-18(15-25-14-16-10-5-3-6-11-16)20(24)21-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,21,24)(H,22,23) |
| InChIKey | GKURQOMXXBRKAS-UHFFFAOYSA-N |
| Mol Weight | 356.48 g/mol |
| Molecular Formula | C20H24N2O2S |
| Exact Mass | 356.155849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3u9pjdaHmtf |
|---|---|
| Name | S-Benzyl-N-butyryl-L-cysteine anilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.155849193 u |
| Formula | C20H24N2O2S |
| InChI | InChI=1S/C20H24N2O2S/c1-2-9-19(23)22-18(15-25-14-16-10-5-3-6-11-16)20(24)21-17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,21,24)(H,22,23) |
| InChIKey | GKURQOMXXBRKAS-UHFFFAOYSA-N |
| Molecular Weight | 356.484 g/mol |
| SMILES | C1=C(C=CC=C1)NC(=O)C(CSCC1=CC=CC=C1)NC(CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821677 |