| SpectraBase Spectrum ID |
FdiQp9bu3Oy |
| Name |
Glutaric acid, (2-methylcyclohex-1-enyl)methyl hept-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c1-4-5-6-11-17(3)24-20(22)14-9-13-19(21)23-15-18-12-8-7-10-16(18)2/h17H,4-15H2,1-3H3 |
| InChIKey |
CWMNUSXCTVHAGX-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C(CCC(OC(C)CCCCC)=O)C(OCC1=C(C)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982206 |
