| SpectraBase Spectrum ID |
7V3CFvrn7LX |
| Name |
N,N-Diethylcarbamothioic acid S-(phenylmethyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.103085344 u |
| Formula |
C12H17NOS |
| InChI |
InChI=1S/C12H17NOS/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 |
| InChIKey |
BKXRWLMGHBHCFY-UHFFFAOYSA-N |
| Molecular Weight |
223.334 g/mol |
| SMILES |
C(SCC=1C=CC=CC1)(N(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953042 |
