| SpectraBase Spectrum ID |
HDSjvc75GGM |
| Name |
1,2-Cyclohexanedicarboxylic acid, heptyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-4-5-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(2)3/h15-17H,4-14H2,1-3H3 |
| InChIKey |
MUVKZSVBJFPTOO-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C1(CCCCC1C(OCCCCCCC)=O)C(=O)OCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828749 |
