| SpectraBase Spectrum ID |
BH4LvEES2FV |
| Name |
Glutaric acid, 3-chlorophenyl 2-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.112836852 u |
| Formula |
C20H21ClO4 |
| InChI |
InChI=1S/C20H21ClO4/c1-14(2)17-9-3-4-10-18(17)25-20(23)12-6-11-19(22)24-16-8-5-7-15(21)13-16/h3-5,7-10,13-14H,6,11-12H2,1-2H3 |
| InChIKey |
OJELHDCIXXIFFH-UHFFFAOYSA-N |
| Molecular Weight |
360.837 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC=1C(C(C)C)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929534 |
