| SpectraBase Spectrum ID |
2NR18MCKER7 |
| Name |
3-[(p-Chlorophenyl)sulfonyl]butyric acid, 2,4-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.960013169 u |
| Formula |
C16H13Cl3O4S |
| InChI |
InChI=1S/C16H13Cl3O4S/c1-10(24(21,22)13-5-2-11(17)3-6-13)8-16(20)23-15-7-4-12(18)9-14(15)19/h2-7,9-10H,8H2,1H3 |
| InChIKey |
NQARXIGQPXQQDC-UHFFFAOYSA-N |
| Molecular Weight |
407.695 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)S(=O)(=O)C(CC(OC=1C(=CC(=CC1)Cl)Cl)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.880964 |
![3-[(p-Chlorophenyl)sulfonyl]butyric acid, 2,4-dichlorophenyl ester](/api/spectrum/2NR18MCKER7/structure.png?h=300&w=458 "3-[(p-Chlorophenyl)sulfonyl]butyric acid, 2,4-dichlorophenyl ester")
