| SpectraBase Spectrum ID |
33S1dXul8UK |
| Name |
Glutaric acid, monochloride, 3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.102272169 u |
| Formula |
C11H19ClO3 |
| InChI |
InChI=1S/C11H19ClO3/c1-3-9(2)7-8-15-11(14)6-4-5-10(12)13/h9H,3-8H2,1-2H3 |
| InChIKey |
KYQCVIGKDYKTSO-UHFFFAOYSA-N |
| Molecular Weight |
234.723 g/mol |
| SMILES |
CC(CCOC(CCCC(Cl)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805477 |
