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6,12-Dimethyl-9-isopropenyl-1-hydroxy-5,10,12-pentadecatrienyl-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

6,12-Dimethyl-9-isopropenyl-1-hydroxy-5,10,12-pentadecatrienyl-2-one
SpectraBase Compound ID Eckx1faSYAv
InChI InChI=1S/C20H32O2/c1-16(2)20(14-12-18(4)9-7-15-21)13-11-17(3)8-6-10-19(5)22/h8-9,12,14,20-21H,1,6-7,10-11,13,15H2,2-5H3/b14-12+,17-8+,18-9-
InChIKey PYMFWZJFGQBRTE-QMPAMFOSSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DhUaC8WONko
Name 6,12-Dimethyl-9-isopropenyl-1-hydroxy-5,10,12-pentadecatrienyl-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-16(2)20(14-12-18(4)9-7-15-21)13-11-17(3)8-6-10-19(5)22/h8-9,12,14,20-21H,1,6-7,10-11,13,15H2,2-5H3/b14-12+,17-8+,18-9-
InChIKey PYMFWZJFGQBRTE-QMPAMFOSSA-N
Molecular Weight 304.474 g/mol
SMILES C(\C=C/(\C=C\C(C(=C)C)CC\C(=C\CCC(=O)C)C)C)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986957