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5-n-Butyl-3-methoxy-2-phenyl-2,5-cyclohexadiene-1,4-dione
SpectraBase Compound ID 4BmiFcKtKiB
InChI InChI=1S/C17H18O3/c1-3-4-8-13-11-14(18)15(17(20-2)16(13)19)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
InChIKey RQVKRNUVGSXPHC-UHFFFAOYSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2z6vRFyZUOJ
Name 5-n-Butyl-3-methoxy-2-phenyl-2,5-cyclohexadiene-1,4-dione
Alternate Name(s) 5-Butyl-3-methoxy-2-phenylbenzo-1,4-quinone
CAS Registry Number 124603-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-3-4-8-13-11-14(18)15(17(20-2)16(13)19)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
InChIKey RQVKRNUVGSXPHC-UHFFFAOYSA-N
Molecular Weight 270.328 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)CCCC)c1ccccc1)OC
SPLASH splash10-056r-1960000000-cfeeb251fe1b31ee1ca9
Source of Spectrum C-112-1902-11
Wiley ID 1274599