| SpectraBase Spectrum ID |
I9mdNpjYbJ |
| Name |
2-Acetylphenoxathin thiosemicarbazone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.050004398 u |
| Formula |
C15H13N3OS2 |
| InChI |
InChI=1S/C15H13N3OS2/c1-9(17-18-15(16)20)10-6-7-12-14(8-10)21-13-5-3-2-4-11(13)19-12/h2-8H,1H3,(H3,16,18,20)/b17-9+ |
| InChIKey |
LQMMRSIRHDRUMX-RQZCQDPDSA-N |
| Molecular Weight |
315.409 g/mol |
| SMILES |
C(N)(=S)N\N=C/(C)C1=CC=2SC3=C(C=CC=C3)OC2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947219 |
