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3-(3,5-Dimethoxyphenyl)-1-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]prop-2-yn-1-one
SpectraBase Compound ID JUbHuEPvL0f
InChI InChI=1S/C26H26O3/c1-16(2)20-9-7-17(3)26-23(14-20)18(4)11-24(26)25(27)10-8-19-12-21(28-5)15-22(13-19)29-6/h7,9,11-16H,1-6H3
InChIKey MPJTVLCQPSVXJD-UHFFFAOYSA-N
Mol Weight 386.49 g/mol
Molecular Formula C26H26O3
Exact Mass 386.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PVFscgM6fm
Name 3-(3,5-Dimethoxyphenyl)-1-[3,8-dimethyl-5-(propan-2-yl)azulen-1-yl]prop-2-yn-1-one
Appearance Brown oil
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Formula C26H26O3
InChI InChI=1S/C26H26O3/c1-16(2)20-9-7-17(3)26-23(14-20)18(4)11-24(26)25(27)10-8-19-12-21(28-5)15-22(13-19)29-6/h7,9,11-16H,1-6H3
InChIKey MPJTVLCQPSVXJD-UHFFFAOYSA-N
Instrument Name Finnigen MAT 200
Ionization Type EI+
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 386.491 g/mol
SMILES Cc1cc(C(=O)C#Cc2cc(cc(c2)OC)OC)c2c(C)ccc(C(C)C)cc12
SPLASH splash10-000i-0319000000-52e672060046d94a1c8c
Source of Spectrum BJO-7-SM13-3h
Wiley ID 1867035