| SpectraBase Spectrum ID |
6UY63Rs0aDf |
| Name |
Hexanoic acid, 5-methylene-6-(4-methoxycarbonyl-1-cyclohexenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-12(5-4-6-15(17)19-2)11-13-7-9-14(10-8-13)16(18)20-3/h7,14H,1,4-6,8-11H2,2-3H3 |
| InChIKey |
QTOBIDVSYNZMPI-UHFFFAOYSA-N |
| SMILES |
C(=O)(C1CC=C(CC(=C)CCCC(=O)OC)CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976329 |
