| SpectraBase Spectrum ID |
K96bvqLKMLP |
| Name |
(Z)-2-Butylthio-3-(2-nitrophenyl)propenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.077264518 u |
| Formula |
C13H15NO3S |
| InChI |
InChI=1S/C13H15NO3S/c1-2-3-8-18-12(10-15)9-11-6-4-5-7-13(11)14(16)17/h4-7,9-10H,2-3,8H2,1H3/b12-9- |
| InChIKey |
ZKKFAHIBMWUBCC-XFXZXTDPSA-N |
| Molecular Weight |
265.327 g/mol |
| SMILES |
C1(N(=O)=O)=C(\C=C\(C=O)SCCCC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931593 |
