| SpectraBase Spectrum ID |
FoBPLJ5AvgP |
| Name |
2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, ethyl ester, (Z,E)-(+/-)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-6-21-15(19)9-12(2)7-8-17(20)13(3)10-14(18)11-16(17,4)5/h7-10,20H,6,11H2,1-5H3/b8-7+,12-9+ |
| InChIKey |
XCGJMMCHEDXHTP-ANKZSMJWSA-N |
| Molecular Weight |
292.375 g/mol |
| SMILES |
OC1(C(CC(C=C1C)=O)(C)C)\C=C\C(C)=C\C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.992654 |
