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5-n-Butyl-3-methoxy-2-(phenylethynyl)-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 6NEKgp996T
InChI InChI=1S/C19H18O3/c1-3-4-10-15-13-17(20)16(19(22-2)18(15)21)12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3
InChIKey QIUQPRJKXQXIRQ-UHFFFAOYSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HZBOoTmYHh
Name 5-n-Butyl-3-methoxy-2-(phenylethynyl)-2,5-cyclohexadiene-1,4-dione
CAS Registry Number 124603-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-3-4-10-15-13-17(20)16(19(22-2)18(15)21)12-11-14-8-6-5-7-9-14/h5-9,13H,3-4,10H2,1-2H3
InChIKey QIUQPRJKXQXIRQ-UHFFFAOYSA-N
Molecular Weight 294.350 g/mol
SMILES C1(=C(C(=O)C(=CC1=O)CCCC)OC)C#Cc1ccccc1
SPLASH splash10-0ukc-0290000000-d1c1e2dcd692f2d68042
Source of Spectrum C-112-1902-11
Synonyms 5-Butyl-3-methoxy-2-(phenylethynyl)benzo-1,4-quinone
Wiley ID 1297566