SpectraBase Compound ID | FesTpbZOJ0y |
---|---|
InChI | InChI=1S/C8H12N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-6,11H,1H3,(H3,9,12,13) |
InChIKey | PTFZMBGTSIJDDP-UHFFFAOYSA-N |
Mol Weight | 196.27 g/mol |
Molecular Formula | C8H12N4S |
Exact Mass | 196.078268 g/mol |
SpectraBase Spectrum ID | 5RtLpaw5VFi |
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Name | 1-[1-[2-Pyridyl]ethyl]hydrazinethiocarboxamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.078267576 u |
Formula | C8H12N4S |
InChI | InChI=1S/C8H12N4S/c1-6(11-12-8(9)13)7-4-2-3-5-10-7/h2-6,11H,1H3,(H3,9,12,13) |
InChIKey | PTFZMBGTSIJDDP-UHFFFAOYSA-N |
SMILES | C1(=CC=CC=N1)C(NNC(N)=S)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874637 |