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(4Z)-6,6-Dimethyl-4-methyl-1-[(1E)-1-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-1-en-1-yl]hex-4-en-2-ynyl benzoate
SpectraBase Compound ID 12MQ4J1y7nC
InChI InChI=1S/C29H38O4/c1-21(20-27(31-6)32-7)15-18-26(33-28(30)24-13-9-8-10-14-24)23(3)16-17-25-22(2)12-11-19-29(25,4)5/h8-10,13-14,16,20,26-27H,11-12,17,19H2,1-7H3/b21-20-,23-16+
InChIKey CYZJUIYANHTQRR-NWSPKQEPSA-N
Mol Weight 450.6 g/mol
Molecular Formula C29H38O4
Exact Mass 450.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40mqQ7qDy3x
Name (4Z)-6,6-Dimethyl-4-methyl-1-[(1E)-1-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-1-en-1-yl]hex-4-en-2-ynyl benzoate
Alternate Name(s) (8E,13cis)-10-(benzoyloxy)-15-methoxy-O(15)-methyl-8,9,11,12-tetradehydro-7,8,9,10-tetrahydroretinol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O4
InChI InChI=1S/C29H38O4/c1-21(20-27(31-6)32-7)15-18-26(33-28(30)24-13-9-8-10-14-24)23(3)16-17-25-22(2)12-11-19-29(25,4)5/h8-10,13-14,16,20,26-27H,11-12,17,19H2,1-7H3/b21-20-,23-16+
InChIKey CYZJUIYANHTQRR-NWSPKQEPSA-N
Molecular Weight 450.619 g/mol
SMILES C1(C\C=C\(C(C#C\C(=C/C(OC)OC)C)OC(=O)c2ccccc2)C)=C(CCCC1(C)C)C
SPLASH splash10-0a4i-1900000000-47fab618f7e311c07709
Source of Spectrum QE-6-4031-23
Wiley ID 845177