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3-[5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid methyl ester
SpectraBase Compound ID 36sDOAU6krR
InChI InChI=1S/C17H22N2O3/c1-5-13-11(3)15(19-17(13)21)8-14-10(2)12(9-18-14)6-7-16(20)22-4/h5,9,15,18H,1,6-8H2,2-4H3,(H,19,21)
InChIKey WUHGARVLHXKSAP-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4w4CNAQawNr
Name 3-[5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid methyl ester
CAS Registry Number 71189-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-5-13-11(3)15(19-17(13)21)8-14-10(2)12(9-18-14)6-7-16(20)22-4/h5,9,15,18H,1,6-8H2,2-4H3,(H,19,21)
InChIKey WUHGARVLHXKSAP-UHFFFAOYSA-N
Molecular Weight 302.374 g/mol
SMILES N1C(Cc2[nH]cc(c2C)CCC(=O)OC)C(=C(C1=O)C=C)C
SPLASH splash10-001i-0911000000-6b0f3426b6ee65ff777b
Source of Spectrum K-112-2253-0
Synonyms 3-[5-[(5-keto-3-methyl-4-vinyl-3-pyrrolin-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid methyl ester Methyl 3-[4-methyl-5-[(3-methyl-5-oxo-4-vinyl-1,2-dihydropyrrol-2-yl)methyl]-1H-pyrrol-3-yl]propanoate Methyl 3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate Methyl 3-[5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
Wiley ID 1304709