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2,8-Dimethyl-2-(4',8'-dimethyl-3',7'-nonadienyl)-3,4-dihydro-2H-1-benzopyran-6-yl benzoate
SpectraBase Compound ID 40UiP8g0OEi
InChI InChI=1S/C29H36O3/c1-21(2)11-9-12-22(3)13-10-17-29(5)18-16-25-20-26(19-23(4)27(25)32-29)31-28(30)24-14-7-6-8-15-24/h6-8,11,13-15,19-20H,9-10,12,16-18H2,1-5H3/b22-13+
InChIKey CEAVOQOKDFADGP-LPYMAVHISA-N
Mol Weight 432.6 g/mol
Molecular Formula C29H36O3
Exact Mass 432.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gUF8kOKtCk
Name 2,8-Dimethyl-2-(4',8'-dimethyl-3',7'-nonadienyl)-3,4-dihydro-2H-1-benzopyran-6-yl benzoate
Alternate Name(s) 2-[(3E)-4,8-dimethyl-3,7-nonadienyl]-2,8-dimethyl-3,4-dihydro-2H-chromen-6-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O3
InChI InChI=1S/C29H36O3/c1-21(2)11-9-12-22(3)13-10-17-29(5)18-16-25-20-26(19-23(4)27(25)32-29)31-28(30)24-14-7-6-8-15-24/h6-8,11,13-15,19-20H,9-10,12,16-18H2,1-5H3/b22-13+
InChIKey CEAVOQOKDFADGP-LPYMAVHISA-N
Molecular Weight 432.604 g/mol
SMILES c12OC(CC\C=C\(CCC=C(C)C)C)(C)CCc2cc(cc1C)OC(=O)c1ccccc1
SPLASH splash10-0a4i-4900200000-179571544e34fb391fab
Source of Spectrum B-47-587-0
Wiley ID 1382535