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2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-[1-(2-thienyl)nonyl]-
SpectraBase Compound ID L971PYlBYDJ
InChI InChI=1S/C20H26O4S/c1-3-4-5-6-7-8-10-14(17-11-9-12-25-17)18-19(22)15(21)13-16(24-2)20(18)23/h9,11-14,22H,3-8,10H2,1-2H3
InChIKey RMSCIAPEFPWZJO-UHFFFAOYSA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID La3KwrYBtuR
Name 2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-[1-(2-thienyl)nonyl]-
CAS Registry Number 115686-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-3-4-5-6-7-8-10-14(17-11-9-12-25-17)18-19(22)15(21)13-16(24-2)20(18)23/h9,11-14,22H,3-8,10H2,1-2H3
InChIKey RMSCIAPEFPWZJO-UHFFFAOYSA-N
Molecular Weight 362.484 g/mol
SMILES OC1=C(C(C(=CC1=O)OC)=O)C(c1sccc1)CCCCCCCC
SPLASH splash10-01ot-6679000000-84243e0f46b767d53e8d
Source of Spectrum F-43-4175-1
Synonyms 2-Hydroxy-5-methoxy-3-[1-(2-thienyl)nonyl]benzo-1,4-quinone 3-(1-Thiophen-2'-ylnonyl)-2-hydroxy-5-methoxy-1,4-benzoquinone
Wiley ID 1349573