| SpectraBase Spectrum ID |
3OwekgtG3rt |
| Name |
Glutaric acid, monochloride, 2-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.086622104 u |
| Formula |
C14H17ClO3 |
| InChI |
InChI=1S/C14H17ClO3/c1-10(2)11-6-3-4-7-12(11)18-14(17)9-5-8-13(15)16/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey |
REFITRWAQBJRDF-UHFFFAOYSA-N |
| Molecular Weight |
268.740 g/mol |
| SMILES |
CC(C)C1=CC=CC=C1OC(=O)CCCC(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901464 |
