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2,5-Cyclohexadiene-1,4-dione, 2,2'-(1,14-tetradecanediyl)bis[3-hydroxy-6-methoxy-
SpectraBase Compound ID 2LTy9I0SoGg
InChI InChI=1S/C28H38O8/c1-35-23-17-21(29)25(31)19(27(23)33)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-26(32)22(30)18-24(36-2)28(20)34/h17-18,31-32H,3-16H2,1-2H3
InChIKey NNUHZIQELGUWDX-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C28H38O8
Exact Mass 502.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXIFPMEmlq7
Name 2,5-Cyclohexadiene-1,4-dione, 2,2'-(1,14-tetradecanediyl)bis[3-hydroxy-6-methoxy-
CAS Registry Number 61621-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O8
InChI InChI=1S/C28H38O8/c1-35-23-17-21(29)25(31)19(27(23)33)15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-26(32)22(30)18-24(36-2)28(20)34/h17-18,31-32H,3-16H2,1-2H3
InChIKey NNUHZIQELGUWDX-UHFFFAOYSA-N
Molecular Weight 502.604 g/mol
SMILES OC1=C(CCCCCCCCCCCCCCC2=C(C(C=C(C2=O)OC)=O)O)C(C(=CC1=O)OC)=O
SPLASH splash10-014i-0900430000-c9883bd54c30400e701f
Source of Spectrum B-29-1987-0
Synonyms 2,2'-(tetradecane-1,14-diyl)di(3-hydroxy-6-methoxy-1,4-benzoquinone) 2-Hydroxy-3-[14-(2-hydroxy-5-methoxy-3,6-dioxo-1,4-cyclohexadien-1-yl)tetradecyl]-5-methoxybenzo-1,4-quinone
Wiley ID 1399231