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1-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-4,4-diethoxybut-2-yn-1-one
SpectraBase Compound ID 8paCYhIJTzV
InChI InChI=1S/C23H28O3/c1-7-25-22(26-8-2)12-11-21(24)20-13-17(6)19-14-18(15(3)4)10-9-16(5)23(19)20/h9-10,13-15,22H,7-8H2,1-6H3
InChIKey CQONBYTYBPPCID-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vBbWcdLeK
Name 1-[3,8-Dimethyl-5-(propan-2-yl)azulen-1-yl]-4,4-diethoxybut-2-yn-1-one
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-7-25-22(26-8-2)12-11-21(24)20-13-17(6)19-14-18(15(3)4)10-9-16(5)23(19)20/h9-10,13-15,22H,7-8H2,1-6H3
InChIKey CQONBYTYBPPCID-UHFFFAOYSA-N
Instrument Name Thermo Finnigen Trace DSQ
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.136
Molecular Weight 352.474 g/mol
SMILES Cc1cc(C(=O)C#CC(OCC)OCC)c2c(C)ccc(C(C)C)cc12
SPLASH splash10-0fb9-0491000000-67550e66546be798ab17
Source of Spectrum BJO-7-SM18-3m
Wiley ID 1867040