| SpectraBase Spectrum ID |
LsJgtUEIlRV |
| Name |
3,4-Dichlorobenzoic acid, p-tert-butylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.052735153 u |
| Formula |
C17H16Cl2O2 |
| InChI |
InChI=1S/C17H16Cl2O2/c1-17(2,3)12-5-7-13(8-6-12)21-16(20)11-4-9-14(18)15(19)10-11/h4-10H,1-3H3 |
| InChIKey |
LZKKYQFPEOSNFN-UHFFFAOYSA-N |
| Molecular Weight |
323.219 g/mol |
| SMILES |
C=1C(=CC=C(C1Cl)Cl)C(OC=1C=CC(=CC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.953652 |
