SpectraBase Spectrum ID |
Jm7GRkFdc19 |
Name |
Dimethyldithiocarbamic acid, p-nitrobenzyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.034019980 u |
Formula |
C10H12N2O2S2 |
InChI |
InChI=1S/C10H12N2O2S2/c1-11(2)10(15)16-7-8-3-5-9(6-4-8)12(13)14/h3-6H,7H2,1-2H3 |
InChIKey |
GQVCJOUNRJELRL-UHFFFAOYSA-N |
Molecular Weight |
256.338 g/mol |
SMILES |
N(=O)(=O)C1=CC=C(C=C1)CSC(N(C)C)=S |
Spectrum/Structure Validation Score (Raman) |
0.950016 |