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2-n-Butyl-3-methoxy-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 56L1cYMK4Wb
InChI InChI=1S/C18H20O3/c1-3-4-10-15-16(19)12-14(17(20)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey GLVSMAUZWLPWKH-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYyCWDjkWNh
Name 2-n-Butyl-3-methoxy-5-(phenylmethyl)-2,5-cyclohexadiene-1,4-dione
CAS Registry Number 124603-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-3-4-10-15-16(19)12-14(17(20)18(15)21-2)11-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3
InChIKey GLVSMAUZWLPWKH-UHFFFAOYSA-N
Molecular Weight 284.355 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)Cc1ccccc1)CCCC)OC
SPLASH splash10-0006-6970000000-0abc5318ed99dc9d2d2f
Source of Spectrum C-112-1903-11
Synonyms 5-Benzyl-2-butyl-3-methoxybenzo-1,4-quinone
Wiley ID 1288260