| SpectraBase Spectrum ID |
5fqV0iDcqk9 |
| Name |
1,2-Cyclohexanedicarboxylic acid, butyl methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h10-11H,3-9H2,1-2H3 |
| InChIKey |
ZKFODBATINNMGH-UHFFFAOYSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
C1(CCCCC1C(OCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811356 |
