| SpectraBase Spectrum ID |
DYSmKYhVCwb |
| Name |
Benzenecarbodithioic acid, 3-nitro-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.007470880 u |
| Formula |
C9H9NO2S2 |
| InChI |
InChI=1S/C9H9NO2S2/c1-2-14-9(13)7-4-3-5-8(6-7)10(11)12/h3-6H,2H2,1H3 |
| InChIKey |
FJJZMEAHCFNGNY-UHFFFAOYSA-N |
| Molecular Weight |
227.296 g/mol |
| SMILES |
C(SCC)(=S)C1=CC(N(=O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913291 |
