| SpectraBase Spectrum ID |
49XKjfmiKHY |
| Name |
Glutaric acid, 2-(2-chlorophenyl)ethyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.112836852 u |
| Formula |
C16H21ClO4 |
| InChI |
InChI=1S/C16H21ClO4/c1-2-11-20-15(18)8-5-9-16(19)21-12-10-13-6-3-4-7-14(13)17/h3-4,6-7H,2,5,8-12H2,1H3 |
| InChIKey |
NRMVBBLDBWFORC-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C(OCCC1=C(C=CC=C1)Cl)(=O)CCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874273 |
