SpectraBase Spectrum ID |
DPY3gon3DMz |
Name |
Butan-2-one, 4-(4-hydroxyphenyl)-, thiosemicarbazone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
237.093583288 u |
Formula |
C11H15N3OS |
InChI |
InChI=1S/C11H15N3OS/c1-8(13-14-11(12)16)2-3-9-4-6-10(15)7-5-9/h4-7,15H,2-3H2,1H3,(H3,12,14,16)/b13-8- |
InChIKey |
MOEKCSYKLBVRDB-JYRVWZFOSA-N |
Molecular Weight |
237.321 g/mol |
SMILES |
C(N\N=C\(C)CCC=1C=CC(O)=CC1)(=S)N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925557 |