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2,5-Cyclohexadiene-1,4-dione, 2,2'-(1,16-hexadecanediyl)bis[6-methoxy-
SpectraBase Compound ID 9kdTp7sk0iZ
InChI InChI=1S/C30H42O6/c1-35-27-21-25(31)19-23(29(27)33)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24-20-26(32)22-28(36-2)30(24)34/h19-22H,3-18H2,1-2H3
InChIKey FCZSAYPYWOJVLM-UHFFFAOYSA-N
Mol Weight 498.7 g/mol
Molecular Formula C30H42O6
Exact Mass 498.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCdG81EjJAd
Name 2,5-Cyclohexadiene-1,4-dione, 2,2'-(1,16-hexadecanediyl)bis[6-methoxy-
CAS Registry Number 61621-84-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O6
InChI InChI=1S/C30H42O6/c1-35-27-21-25(31)19-23(29(27)33)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24-20-26(32)22-28(36-2)30(24)34/h19-22H,3-18H2,1-2H3
InChIKey FCZSAYPYWOJVLM-UHFFFAOYSA-N
Molecular Weight 498.660 g/mol
SMILES C=1(C(C(CCCCCCCCCCCCCCCCC=2C(C(OC)=CC(C2)=O)=O)=CC(C1)=O)=O)OC
SPLASH splash10-0udi-4000490000-44f223b050d6afbfeb28
Source of Spectrum B-29-1986-0
Synonyms 2-methoxy-6-[16-(5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)hexadecyl]benzo-1,4-quinone 6,6'-(hexadecane-1,16-diyl)di(2-methoxy-1,4-benzoquinone)
Wiley ID 1398616