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(2Z,4E,8E)-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,8-trien-6-ynal

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(2Z,4E,8E)-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,8-trien-6-ynal
SpectraBase Compound ID BppQCnGKpoN
InChI InChI=1S/C18H22O/c1-16-12-11-14-18(2,3)17(16)13-9-7-5-4-6-8-10-15-19/h4,6,8-10,13,15H,11-12,14H2,1-3H3/b6-4+,10-8-,13-9+
InChIKey CFDXNNZXASHKQL-PFBYPIJLSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10XURlFVtmc
Name (2Z,4E,8E)-9-(2,6,6-Trimethyl-1-cyclohexenyl)nona-2,4,8-trien-6-ynal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.167065327 u
Formula C18H22O
InChI InChI=1S/C18H22O/c1-16-12-11-14-18(2,3)17(16)13-9-7-5-4-6-8-10-15-19/h4,6,8-10,13,15H,11-12,14H2,1-3H3/b6-4+,10-8-,13-9+
InChIKey CFDXNNZXASHKQL-PFBYPIJLSA-N
Molecular Weight 254.373 g/mol
SMILES C1(=C(CCCC1(C)C)C)\C=C\C#C\C=C\C=C/C=O