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(2E,6E)-9-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-7-methyl-3-hydroxymethyl-1-(N,N-di-n-butylamino)-2,6-nonadiene

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(2E,6E)-9-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-7-methyl-3-hydroxymethyl-1-(N,N-di-n-butylamino)-2,6-nonadiene
SpectraBase Compound ID 8kvfyrMR1aD
InChI InChI=1S/C28H51NO/c1-7-9-20-29(21-10-8-2)22-18-26(23-30)15-11-13-24(3)16-17-27-25(4)14-12-19-28(27,5)6/h13,18,30H,7-12,14-17,19-23H2,1-6H3/b24-13+,26-18+
InChIKey HHQAYNVWLYEIAO-QNTXUQBWSA-N
Mol Weight 417.7 g/mol
Molecular Formula C28H51NO
Exact Mass 417.397065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6LYpH7Wa9BH
Name (2E,6E)-9-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-7-methyl-3-hydroxymethyl-1-(N,N-di-N-butylamino)-2,6-nonadiene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.397065265 u
Formula C28H51NO
InChI InChI=1S/C28H51NO/c1-7-9-20-29(21-10-8-2)22-18-26(23-30)15-11-13-24(3)16-17-27-25(4)14-12-19-28(27,5)6/h13,18,30H,7-12,14-17,19-23H2,1-6H3/b24-13+,26-18+
InChIKey HHQAYNVWLYEIAO-QNTXUQBWSA-N
Molecular Weight 417.722 g/mol
SMILES C1(=C(CCCC1(C)C)C)CC\C(=C\CC\C(=C/CN(CCCC)CCCC)CO)C