| SpectraBase Spectrum ID |
La11sdWSWAM |
| Name |
o-[4'-(Methylphenyl) N,N-diethylthiocarbamate |
| 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/c1-4-13(5-2)12(15)14-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 |
| InChIKey |
GHRVTJNJCFBPNG-UHFFFAOYSA-N |
| Molecular Weight |
223.334 g/mol |
| SMILES |
C(OC1=CC=C(C=C1)C)(=S)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925262 |
