| SpectraBase Spectrum ID |
2g0fBHb7Vhu |
| Name |
1,2-Cyclohexanedicarboxylic acid, nonyl 3-pentyl 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/c1-4-7-8-9-10-11-14-17-25-21(23)19-15-12-13-16-20(19)22(24)26-18(5-2)6-3/h18-20H,4-17H2,1-3H3 |
| InChIKey |
VZSJQINRZXYIGX-UHFFFAOYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
CCCCCCCCCOC(C1C(C(=O)OC(CC)CC)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920021 |
