| SpectraBase Spectrum ID |
5DRBIJPBcwU |
| Name |
Glutaric acid, 3-chlorophenyl 2-propylphenyl 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/c1-2-7-15-8-3-4-11-18(15)25-20(23)13-6-12-19(22)24-17-10-5-9-16(21)14-17/h3-5,8-11,14H,2,6-7,12-13H2,1H3 |
| InChIKey |
KRXUMCAMGSZAPH-UHFFFAOYSA-N |
| Molecular Weight |
360.837 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC=1C(CCC)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961136 |
