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1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-, hexadecyl ester, (Z)-
SpectraBase Compound ID KkVZcPITz7D
InChI InChI=1S/C33H52N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-39-32(37)21-20-28-25(3)29(34-31(28)24-36)23-30-27(6-2)26(4)33(38)35-30/h23-24,34H,5-22H2,1-4H3,(H,35,38)/b30-23-
InChIKey OAAPFIFAZSLCIO-WMMMYUQOSA-N
Mol Weight 540.8 g/mol
Molecular Formula C33H52N2O4
Exact Mass 540.392708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LN5kTHVRykl
Name 1H-Pyrrole-3-propanoic acid, 5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-, hexadecyl ester, (Z)-
Alternate Name(s) (Z)-1,5-Dihydro-3-ethyl-3',4-dimethyl-5'-formyl-5-oxo-2,2'-dipyrrylmethylene-4'-hexadecylpropanoate Hexadecyl 3-{5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-formyl-4-methyl-1H-pyrrol-3-yl}propanoate
CAS Registry Number 109273-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H52N2O4
InChI InChI=1S/C33H52N2O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-39-32(37)21-20-28-25(3)29(34-31(28)24-36)23-30-27(6-2)26(4)33(38)35-30/h23-24,34H,5-22H2,1-4H3,(H,35,38)/b30-23-
InChIKey OAAPFIFAZSLCIO-WMMMYUQOSA-N
Molecular Weight 540.789 g/mol
SMILES N1C(C(=C(\C1=C/c1[nH]c(c(c1C)CCC(=O)OCCCCCCCCCCCCCCCC)C=O)CC)C)=O
SPLASH splash10-0006-0061090000-d40cd31c998d6f91ad48
Source of Spectrum AH-117-1083-6
Wiley ID 1404681