| SpectraBase Spectrum ID |
5kjqHsmYUKx |
| Name |
cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.097186788 u |
| Formula |
C17H19ClO4 |
| InChI |
InChI=1S/C17H19ClO4/c1-3-21-16(19)13-6-4-5-7-14(13)17(20)22-12-8-9-15(18)11(2)10-12/h4-5,8-10,13-14H,3,6-7H2,1-2H3 |
| InChIKey |
DWLQZUVJDFCJED-UHFFFAOYSA-N |
| Molecular Weight |
322.788 g/mol |
| SMILES |
C=1CC(C(CC1)C(OCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl |
