| SpectraBase Spectrum ID |
BSFpttpnz79 |
| Name |
Cyclohexanecarboxylic acid, 4-(chloromethyl)-1-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.091707485 u |
| Formula |
C10H17ClO2 |
| InChI |
InChI=1S/C10H17ClO2/c1-10(9(12)13-2)5-3-8(7-11)4-6-10/h8H,3-7H2,1-2H3 |
| InChIKey |
NKRNHDZSRNNGIR-UHFFFAOYSA-N |
| Molecular Weight |
204.697 g/mol |
| SMILES |
C(OC)(=O)C1(C)CCC(CC1)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850733 |
