| SpectraBase Spectrum ID |
JpxiGKeUjAB |
| Name |
Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbut-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.087764919 u |
| Formula |
C16H18ClFO4 |
| InChI |
InChI=1S/C16H18ClFO4/c1-11(2)9-10-21-14(19)7-4-8-15(20)22-16-12(17)5-3-6-13(16)18/h3,5-6H,1,4,7-10H2,2H3 |
| InChIKey |
MDXAKXFMSPWNQH-UHFFFAOYSA-N |
| Molecular Weight |
328.767 g/mol |
| SMILES |
C(CCC(OC1=C(C=CC=C1F)Cl)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849068 |
