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3-(3-keto-3-methoxy-propyl)-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID 5b35S1VsTOJ
InChI InChI=1S/C22H28N2O5/c1-8-14-12(2)17(24-20(14)26)11-16-13(3)15(9-10-18(25)28-7)19(23-16)21(27)29-22(4,5)6/h8,11,23H,1,9-10H2,2-7H3,(H,24,26)/b17-11-
InChIKey LOQTYBBEDCZTON-BOPFTXTBSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JZPIJTnp6Y
Name 3-(3-keto-3-methoxy-propyl)-5-[(Z)-(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
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Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-8-14-12(2)17(24-20(14)26)11-16-13(3)15(9-10-18(25)28-7)19(23-16)21(27)29-22(4,5)6/h8,11,23H,1,9-10H2,2-7H3,(H,24,26)/b17-11-
InChIKey LOQTYBBEDCZTON-BOPFTXTBSA-N
Molecular Weight 400.475 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(=C(C(N1)=O)C=C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-0006-0049200000-786790300b19227f33f0
Source of Spectrum AJ-67-3092-2
Synonyms 5-[(Z)-(4-ethenyl-3-methyl-5-oxo-2-pyrrolylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrole-2-carboxylate tert-Butyl 5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2-carboxylate tert-Butyl 5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 772844