| SpectraBase Spectrum ID |
78Z7opjw4q1 |
| Name |
N-Cyano-4-(p-nitrophenyl)thio-1-piperazinecarbimidic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.094645915 u |
| Formula |
C13H15N5O2S |
| InChI |
InChI=1S/C13H15N5O2S/c1-21-13(15-10-14)17-8-6-16(7-9-17)11-2-4-12(5-3-11)18(19)20/h2-5H,6-9H2,1H3/b15-13- |
| InChIKey |
BGOVDQBUQRSQII-SQFISAMPSA-N |
| SMILES |
CS\C(N1CCN(C2=CC=C(C=C2)N(=O)=O)CC1)=N/C#N |
| Spectrum/Structure Validation Score (Raman) |
0.884048 |
