| SpectraBase Spectrum ID |
BqJOfPCH0DB |
| Name |
2-{{2-[(p-Chlorophenyl)sulfonyl]ethyl}thio}-N-(cyclopropylmethyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.041663489 u |
| Formula |
C14H18ClNO3S2 |
| InChI |
InChI=1S/C14H18ClNO3S2/c15-12-3-5-13(6-4-12)21(18,19)8-7-20-10-14(17)16-9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,16,17) |
| InChIKey |
FKULYTXQUKUNLR-UHFFFAOYSA-N |
| Molecular Weight |
347.875 g/mol |
| SMILES |
N(C(CSCCS(C1=CC=C(C=C1)Cl)(=O)=O)=O)CC1CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.910284 |
![2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}-N-(cyclopropylmethyl)acetamide](/api/spectrum/BqJOfPCH0DB/structure.png?h=300&w=458 "2-{{2-[(p-chlorophenyl)sulfonyl]ethyl}thio}-N-(cyclopropylmethyl)acetamide")
