| SpectraBase Spectrum ID |
Ieik5xSuwKr |
| Name |
Glutaric acid, hept-2-yl 4-methylcyclohexyl 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/c1-4-5-6-8-16(3)22-18(20)9-7-10-19(21)23-17-13-11-15(2)12-14-17/h15-17H,4-14H2,1-3H3 |
| InChIKey |
INFDNUITSNXLSG-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OC1CCC(CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814923 |
