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(4Z)-5-{[1,3]-Dioxolan-2-yl}-4-methyl-1-[(1E)-1-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-1-en-1-yl]pent-4-en-2-ynyl benzoate

View entire compound with spectra: 1 MS (GC)

(4Z)-5-{[1,3]-Dioxolan-2-yl}-4-methyl-1-[(1E)-1-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-1-en-1-yl]pent-4-en-2-ynyl benzoate
SpectraBase Compound ID 9qls5bOeUT3
InChI InChI=1S/C29H36O4/c1-21(20-27-31-18-19-32-27)13-16-26(33-28(30)24-11-7-6-8-12-24)23(3)14-15-25-22(2)10-9-17-29(25,4)5/h6-8,11-12,14,20,26-27H,9-10,15,17-19H2,1-5H3/b21-20-,23-14+
InChIKey OBXAXONTJZCABA-VVLOZIMMSA-N
Mol Weight 448.6 g/mol
Molecular Formula C29H36O4
Exact Mass 448.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7mhaXfQ2WH
Name (4Z)-5-{[1,3]-Dioxolan-2-yl}-4-methyl-1-[(1E)-1-methyl-3-(2,6,6-trimethylcyclohex-1-en-1-yl)prop-1-en-1-yl]pent-4-en-2-ynyl benzoate
Alternate Name(s) (4Z)-5-(1,3-dioxolan-2-yl)-4-methyl-1-[(1E)-1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-propenyl]-4-penten-2-ynyl benzoate benzoic acid[(2E,7Z)-8-(1,3-dioxolan-2-yl)-3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)octa-2,7-dien-5-yn-4-yl]ester benzoic acid[(Z)-5-(1,3-dioxolan-2-yl)-4-methyl-1-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-1-enyl]pent-4-en-2-ynyl]ester [(2E,7Z)-8-(1,3-dioxolan-2-yl)-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)octa-2,7-dien-5-yn-4-yl]benzoate [(Z)-5-(1,3-dioxolan-2-yl)-4-methyl-1-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-1-enyl]pent-4-en-2-ynyl]benzoate benzoic acid [(2E,7Z)-8-(1,3-dioxolan-2-yl)-3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)octa-2,7-dien-5-yn-4-yl] ester [(Z)-5-(1,3-dioxolan-2-yl)-4-methyl-1-[(E)-1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-1-enyl]pent-4-en-2-ynyl] benzoate [(2E,7Z)-8-(1,3-dioxolan-2-yl)-3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)octa-2,7-dien-5-yn-4-yl] benzoate
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Formula C29H36O4
InChI InChI=1S/C29H36O4/c1-21(20-27-31-18-19-32-27)13-16-26(33-28(30)24-11-7-6-8-12-24)23(3)14-15-25-22(2)10-9-17-29(25,4)5/h6-8,11-12,14,20,26-27H,9-10,15,17-19H2,1-5H3/b21-20-,23-14+
InChIKey OBXAXONTJZCABA-VVLOZIMMSA-N
Molecular Weight 448.603 g/mol
SMILES C1(C\C=C\(C(C#C\C(=C/C2OCCO2)C)OC(=O)c2ccccc2)C)=C(CCCC1(C)C)C
SPLASH splash10-0a4j-2900000000-cb8b01065b690cf9e9d4
Source of Spectrum QE-6-4028-15
Wiley ID 845196