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1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, hexadecyl ester, (Z)-
SpectraBase Compound ID 2QZ1pBpuZij
InChI InChI=1S/C37H60N2O5/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-25-43-33(40)24-23-30-27(3)31(38-34(30)36(42)44-37(5,6)7)26-32-29(9-2)28(4)35(41)39-32/h26,38H,8-25H2,1-7H3,(H,39,41)/b32-26-
InChIKey FIXYIBYPGIXJQO-FSRJSHLRSA-N
Mol Weight 612.9 g/mol
Molecular Formula C37H60N2O5
Exact Mass 612.450223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxFuRf7vBan
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, hexadecyl ester, (Z)-
CAS Registry Number 109273-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H60N2O5
InChI InChI=1S/C37H60N2O5/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-25-43-33(40)24-23-30-27(3)31(38-34(30)36(42)44-37(5,6)7)26-32-29(9-2)28(4)35(41)39-32/h26,38H,8-25H2,1-7H3,(H,39,41)/b32-26-
InChIKey FIXYIBYPGIXJQO-FSRJSHLRSA-N
Molecular Weight 612.896 g/mol
SMILES [nH]1c(c(c(c1\C=C/1NC(C(=C1CC)C)=O)C)CCC(=O)OCCCCCCCCCCCCCCCC)C(OC(C)(C)C)=O
SPLASH splash10-0a4l-0031091000-74bbd6cc95ac6a8e78ed
Source of Spectrum AH-117-1083-5
Synonyms (Z)-1,5-Dihydro-3-ethyl-3',4-dimethyl-5'-t-butoxycarbonyl-5-oxo-2,2'-dipyrrylmethane-4'-hexadecylpropanoate tert-Butyl 5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3-[3-(hexadecyloxy)-3-oxopropyl]-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1411080