| SpectraBase Spectrum ID |
FNYBYf1zO6q |
| Name |
Glutaric acid, naphth-2-ylmethyl 2-tert-butylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-24(2,3)18-12-7-9-14-20(18)28-22(26)16-11-17-23(27)29-21-15-10-8-13-19(21)25(4,5)6/h18-21H,7-17H2,1-6H3 |
| InChIKey |
AHWMXDKDAXLYHE-UHFFFAOYSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(CCC(OC1CCCCC1C(C)(C)C)=O)C(OC1C(CCCC1)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978035 |
