| SpectraBase Spectrum ID |
5auR91Vn6lr |
| Name |
p-Chloro-N-[4-(phenylsulfonyl)-2-butynyl]aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.043377567 u |
| Formula |
C16H14ClNO2S |
| InChI |
InChI=1S/C16H14ClNO2S/c17-14-8-10-15(11-9-14)18-12-4-5-13-21(19,20)16-6-2-1-3-7-16/h1-3,6-11,18H,12-13H2 |
| InChIKey |
MLKQWGXZQLLZEO-UHFFFAOYSA-N |
| Molecular Weight |
319.806 g/mol |
| SMILES |
N(C1=CC=C(C=C1)Cl)CC#CCS(=O)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.909997 |
![p-chloro-N-[4-(phenylsulfonyl)-2-butynyl]aniline](/api/spectrum/5auR91Vn6lr/structure.png?h=300&w=458 "p-chloro-N-[4-(phenylsulfonyl)-2-butynyl]aniline")
