| SpectraBase Spectrum ID |
7PBi1xPD1fE |
| Name |
Acetic acid, alpha-thiocyanato-alpha-(4-nitrophenyl)methylene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.004827851 u |
| Formula |
C10H6N2O4S |
| InChI |
InChI=1S/C10H6N2O4S/c11-6-17-9(10(13)14)5-7-1-3-8(4-2-7)12(15)16/h1-5H,(H,13,14)/b9-5- |
| InChIKey |
HWWLXEMNGXHGEY-UITAMQMPSA-N |
| Molecular Weight |
250.228 g/mol |
| SMILES |
C(\C(SC#N)=C\C1=CC=C(C=C1)N(=O)=O)(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878003 |
