For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 3-[3',5'-dimethyl-4'-octadecanoyl-1'-(3"-phenyl-1"-<3"'-phenylpropionyloxy>prop-1"-en-1"-yl]pyrrol-2'-yl}-propionate
SpectraBase Compound ID FqBwmO81vGh
InChI InChI=1S/C46H65NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-42(48)46-37(2)41(33-36-44(49)51-4)47(38(46)3)43(34-31-39-26-21-19-22-27-39)52-45(50)35-32-40-28-23-20-24-29-40/h19-24,26-29,34H,5-18,25,30-33,35-36H2,1-4H3/b43-34+
InChIKey SNHYQQBFNFCFAL-JGMSEJPPSA-N
Mol Weight 712.0 g/mol
Molecular Formula C46H65NO5
Exact Mass 711.486274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8BU3JYqfObZ
Name Methyl 3-[3',5'-dimethyl-4'-octadecanoyl-1'-(3"-phenyl-1"-<3"'-phenylpropionyloxy>prop-1"-en-1"-yl]pyrrol-2'-yl}-propionate
Alternate Name(s) Methyl 3-(3,5-dimethyl-1-{(1E)-3-phenyl-1-[(3-phenylpropanoyl)oxy]-1-propenyl}-4-stearoyl-1H-pyrrol-2-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H65NO5
InChI InChI=1S/C46H65NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-42(48)46-37(2)41(33-36-44(49)51-4)47(38(46)3)43(34-31-39-26-21-19-22-27-39)52-45(50)35-32-40-28-23-20-24-29-40/h19-24,26-29,34H,5-18,25,30-33,35-36H2,1-4H3/b43-34+
InChIKey SNHYQQBFNFCFAL-JGMSEJPPSA-N
Molecular Weight 712.028 g/mol
SMILES c1([n](c(c(c1C)C(=O)CCCCCCCCCCCCCCCCC)C)\C(OC(=O)CCc1ccccc1)=C/Cc1ccccc1)CCC(=O)OC
SPLASH splash10-0592-0090600100-f14be8b54a18369ed31a
Source of Spectrum D8-329-486-6
Wiley ID 1516288