| SpectraBase Spectrum ID |
74Kpa3bpwoW |
| Name |
1-(2-Tert-butylethynylthio)-1-phenylhydrazonopropan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.113984381 u |
| Formula |
C15H18N2OS |
| InChI |
InChI=1S/C15H18N2OS/c1-12(18)14(19-11-10-15(2,3)4)17-16-13-8-6-5-7-9-13/h5-9,16H,1-4H3/b17-14+ |
| InChIKey |
WZPXCAUVXGXIHG-SAPNQHFASA-N |
| SMILES |
C1(N\N=C/(C(=O)C)SC#CC(C)(C)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90173 |
