| SpectraBase Spectrum ID |
IutRyUGvxCs |
| Name |
4'-Chloro-3-(dimethylamino)-2-(p-tolylthio)acrylophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.079763077 u |
| Formula |
C18H18ClNOS |
| InChI |
InChI=1S/C18H18ClNOS/c1-13-4-10-16(11-5-13)22-17(12-20(2)3)18(21)14-6-8-15(19)9-7-14/h4-12H,1-3H3 |
| InChIKey |
AHSZEHGXOCIEBE-UHFFFAOYSA-N |
| Molecular Weight |
331.861 g/mol |
| SMILES |
C=1C(Cl)=CC=C(C1)C(C(=CN(C)C)SC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.912177 |
