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(4S)-4,5-Dihydro-2-[(4"-decyloxybiphenyl-4'-ylcarbonyloxy)-2'-hydroxyphenyl]-4[(s)-1-methylpropyl]oxazole
SpectraBase Compound ID FSCVUI80f31
InChI InChI=1S/C36H45NO5/c1-4-6-7-8-9-10-11-12-23-40-30-19-17-28(18-20-30)27-13-15-29(16-14-27)36(39)42-31-21-22-32(34(38)24-31)35-37-33(25-41-35)26(3)5-2/h13-22,24,26,33,38H,4-12,23,25H2,1-3H3/t26?,33-/m1/s1
InChIKey JXXJODJTFQPYCM-NXDCZNQUSA-N
Mol Weight 571.8 g/mol
Molecular Formula C36H45NO5
Exact Mass 571.329774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KAPqlx0hjv
Name (4S)-4,5-Dihydro-2-[(4"-decyloxybiphenyl-4'-ylcarbonyloxy)-2'-hydroxyphenyl]-4[(s)-1-methylpropyl]oxazole
Alternate Name(s) (4S)-4,5-Dihydro-2-[4-(4''-decyloxybiphenyl-4'-ylcarbonyloxy)-2-hydroxyphenyl]-4[1-methylpropyl]oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H45NO5
InChI InChI=1S/C36H45NO5/c1-4-6-7-8-9-10-11-12-23-40-30-19-17-28(18-20-30)27-13-15-29(16-14-27)36(39)42-31-21-22-32(34(38)24-31)35-37-33(25-41-35)26(3)5-2/h13-22,24,26,33,38H,4-12,23,25H2,1-3H3/t26?,33-/m1/s1
InChIKey JXXJODJTFQPYCM-NXDCZNQUSA-N
Molecular Weight 571.758 g/mol
SMILES Oc1c(C2=N[C@@](C(CC)C)(CO2)[H])ccc(OC(c2ccc(-c3ccc(cc3)OCCCCCCCCCC)cc2)=O)c1
SPLASH splash10-000i-1309010000-6f349cda8be46c57de30
Source of Spectrum C-117-8320-0
Wiley ID 758988