| SpectraBase Spectrum ID |
BDUOiNTLPaD |
| Name |
Glutaric acid, 2-(cyclohexyl)ethyl 3-methylbut-2-en-1-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/c1-15(2)11-13-21-17(19)9-6-10-18(20)22-14-12-16-7-4-3-5-8-16/h11,16H,3-10,12-14H2,1-2H3 |
| InChIKey |
VCZYIPXQPKZSJS-UHFFFAOYSA-N |
| SMILES |
C(CCC(OCC=C(C)C)=O)C(OCCC1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829567 |
