SpectraBase Spectrum ID |
9wGGLHHxyJY |
Name |
Dimethyldithiocarbamic acid, anhydrosulfide with 2-biphenylylxanthic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
333.031577628 u |
Formula |
C16H15NOS3 |
InChI |
InChI=1S/C16H15NOS3/c1-17(2)15(19)21-16(20)18-14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3 |
InChIKey |
VYZFKHJIFFYOAN-UHFFFAOYSA-N |
Molecular Weight |
333.482 g/mol |
SMILES |
C=1C=CC(=C(C1)OC(=S)SC(=S)N(C)C)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.9638 |