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3,5-Di-n-butyl-2-hydroxycyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 8ak6QN2j5Iy
InChI InChI=1S/C14H20O3/c1-3-5-7-10-9-12(15)14(17)11(13(10)16)8-6-4-2/h9,17H,3-8H2,1-2H3
InChIKey XPDOOXJHPJBZSH-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeyA2EEPUMf
Name 3,5-Di-n-butyl-2-hydroxycyclohexa-2,5-diene-1,4-dione
Alternate Name(s) 3,5-Dibutyl-2-hydroxybenzo-1,4-quinone
CAS Registry Number 124175-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-3-5-7-10-9-12(15)14(17)11(13(10)16)8-6-4-2/h9,17H,3-8H2,1-2H3
InChIKey XPDOOXJHPJBZSH-UHFFFAOYSA-N
Molecular Weight 236.311 g/mol
SMILES OC1=C(C(C(=CC1=O)CCCC)=O)CCCC
SPLASH splash10-0pbc-6910000000-5ee1485edd4d30412bf0
Source of Spectrum J-55-1181-10
Wiley ID 1238415