| SpectraBase Spectrum ID |
2n5igDaBaBk |
| Name |
1,2-Cyclohexanedicarboxylic acid, decyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-13-16-25-21(23)19-14-11-12-15-20(19)22(24)26-17-18(2)3/h18-20H,4-17H2,1-3H3 |
| InChIKey |
XTLZHMNYSDYCTM-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(C1CCCCC1C(OCCCCCCCCCC)=O)(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953675 |
