| SpectraBase Spectrum ID |
E5YW9CgEm0z |
| Name |
Cyclohexanecarboxylic acid, 1-[(4-chlorophenyl)methyl]-3,3-dimethyl-2-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.133572298 u |
| Formula |
C18H23ClO3 |
| InChI |
InChI=1S/C18H23ClO3/c1-4-22-16(21)18(11-5-10-17(2,3)15(18)20)12-13-6-8-14(19)9-7-13/h6-9H,4-5,10-12H2,1-3H3 |
| InChIKey |
YEAAGWUWIMVQCE-UHFFFAOYSA-N |
| Molecular Weight |
322.832 g/mol |
| SMILES |
C1=C(C=CC(=C1)Cl)CC1(CCCC(C1=O)(C)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.808531 |
![Cyclohexanecarboxylic acid, 1-[(4-chlorophenyl)methyl]-3,3-dimethyl-2-oxo-, ethyl ester](/api/spectrum/E5YW9CgEm0z/structure.png?h=300&w=458 "Cyclohexanecarboxylic acid, 1-[(4-chlorophenyl)methyl]-3,3-dimethyl-2-oxo-, ethyl ester")
