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[1,1'-Biphenyl]octanol, .alpha.-heptyl-2,3,3',4'-tetramethoxy-3'(or 4)-pentadecyl-
SpectraBase Compound ID 5NcnP6349Cw
InChI InChI=1S/C46H78O5/c1-7-9-11-13-14-15-16-17-18-19-20-23-27-31-39-36-40(37-43(48-3)44(39)49-4)42-35-34-38(45(50-5)46(42)51-6)30-26-24-21-25-29-33-41(47)32-28-22-12-10-8-2/h34-37,41,47H,7-33H2,1-6H3
InChIKey DOCUJIOPDUMMMB-UHFFFAOYSA-N
Mol Weight 711.1 g/mol
Molecular Formula C46H78O5
Exact Mass 710.584926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYAM7zx2TtJ
Name [1,1'-Biphenyl]octanol, .alpha.-heptyl-2,3,3',4'-tetramethoxy-3'(or 4)-pentadecyl-
Alternate Name(s) 2,3,3',4'-tetramethoxy-4-pentadecyl-5'-(8-hydroxypentadecyl)biphenyl 1-(2,3,3',4'-tetramethoxy-5'-pentadecyl[1,1'-biphenyl]-4-yl)-8-pentadecanol 2,3,3',4'-Tetramethoxy-4-(8-hydroxypentadecyl)-5'-pentadecylbiphenyl
CAS Registry Number 97072-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H78O5
InChI InChI=1S/C46H78O5/c1-7-9-11-13-14-15-16-17-18-19-20-23-27-31-39-36-40(37-43(48-3)44(39)49-4)42-35-34-38(45(50-5)46(42)51-6)30-26-24-21-25-29-33-41(47)32-28-22-12-10-8-2/h34-37,41,47H,7-33H2,1-6H3
InChIKey DOCUJIOPDUMMMB-UHFFFAOYSA-N
Molecular Weight 711.125 g/mol
SMILES OC(CCCCCCCc1ccc(-c2cc(OC)c(c(c2)CCCCCCCCCCCCCCC)OC)c(c1OC)OC)CCCCCCC
SPLASH splash10-066r-9030000100-242aab1b051125f28264
Source of Spectrum J-50-2621-18
Wiley ID 1415370