| SpectraBase Spectrum ID |
Iu0jK10sapr |
| Name |
4-Chlorobenzoic acid, 4-methoxy-2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.086622104 u |
| Formula |
C13H17ClO3 |
| InChI |
InChI=1S/C13H17ClO3/c1-10(7-8-16-2)9-17-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3 |
| InChIKey |
CPQYPQHGPXSFPG-UHFFFAOYSA-N |
| Molecular Weight |
256.729 g/mol |
| SMILES |
C1=CC(=CC=C1C(=O)OCC(CCOC)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939597 |
