| SpectraBase Spectrum ID |
BtLhuUGtoO9 |
| Name |
Benzoic acid, 4-chloro-, (2,3-dihydro-6-chloro-2-oxobenzoxazol-3-yl-)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.990863170 u |
| Formula |
C15H9Cl2NO4 |
| InChI |
InChI=1S/C15H9Cl2NO4/c16-10-3-1-9(2-4-10)14(19)21-8-18-12-6-5-11(17)7-13(12)22-15(18)20/h1-7H,8H2 |
| InChIKey |
LBLQCHLDDMJEQF-UHFFFAOYSA-N |
| Molecular Weight |
338.146 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCN1C(OC=2C1=CC=C(C2)Cl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852958 |
