| SpectraBase Spectrum ID |
1q1CxX4Sog4 |
| Name |
Glutaric acid, pent-2-en-1-yl 3-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.097186788 u |
| Formula |
C16H19ClO4 |
| InChI |
InChI=1S/C16H19ClO4/c1-2-3-4-11-20-15(18)9-6-10-16(19)21-14-8-5-7-13(17)12-14/h3-5,7-8,12H,2,6,9-11H2,1H3/b4-3+ |
| InChIKey |
QTKNPHHZRXKWQZ-ONEGZZNKSA-N |
| Molecular Weight |
310.777 g/mol |
| SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC\C=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856406 |
