| SpectraBase Spectrum ID |
5x3RifnQp6D |
| Name |
Glutaric acid, (cyclohex-3-enyl)methyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.214409442 u |
| Formula |
C18H30O4 |
| InChI |
InChI=1S/C18H30O4/c1-4-16(14(2)3)22-18(20)12-8-11-17(19)21-13-15-9-6-5-7-10-15/h5-6,14-16H,4,7-13H2,1-3H3 |
| InChIKey |
VSPOLMTUPQAHHX-UHFFFAOYSA-N |
| SMILES |
C(CCC(OC(CC)C(C)C)=O)C(OCC1CC=CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839098 |
