| SpectraBase Spectrum ID |
7UfGhQ50MZZ |
| Name |
Benzamide, 2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-methylthio- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.053942250 u |
| Formula |
C17H16ClNO3S |
| InChI |
InChI=1S/C17H16ClNO3S/c1-17(2)21-14-7-4-10(8-15(14)22-17)19-16(20)12-9-11(23-3)5-6-13(12)18/h4-9H,1-3H3,(H,19,20) |
| InChIKey |
UNDSKIDGOWLJEX-UHFFFAOYSA-N |
| Molecular Weight |
349.832 g/mol |
| SMILES |
C1(C(NC2=CC=3OC(C)(C)OC3C=C2)=O)=C(C=CC(SC)=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821264 |
