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2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, ethyl ester, (Z,E)-(+/-)-
SpectraBase Compound ID BNWjxe71BCs
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
Mol Weight 292.37 g/mol
Molecular Formula C17H24O4
Exact Mass 292.167459 g/mol

Raman Spectrum

Raman Spectrum

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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