| SpectraBase Spectrum ID |
IOwBfdCJnyP |
| Name |
2-(3-Methoxyphenyl)-N-(2-methylallyl)hydrazinecarbothioamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.109233352 u |
| Formula |
C12H17N3OS |
| InChI |
InChI=1S/C12H17N3OS/c1-9(2)8-13-12(17)15-14-10-5-4-6-11(7-10)16-3/h4-7,14H,1,8H2,2-3H3,(H2,13,15,17) |
| InChIKey |
DRYBJDKYFPJCHK-UHFFFAOYSA-N |
| Molecular Weight |
251.348 g/mol |
| SMILES |
C=C(CNC(NNC1=CC(=CC=C1)OC)=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812589 |
