| SpectraBase Spectrum ID |
exasnZ8ozD |
| Name |
Glutaric acid, 3-methylbut-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/c1-12(2)9-10-20-15(18)7-4-8-16(19)21-14-6-3-5-13(17)11-14/h3,5-6,9,11H,4,7-8,10H2,1-2H3 |
| InChIKey |
BQZFTEJHXQCXQV-UHFFFAOYSA-N |
| Molecular Weight |
310.777 g/mol |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OC1=CC=CC(=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852408 |
