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2H-Pyrrole-3-propanoic acid, 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylene]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, (Z,Z)-
SpectraBase Compound ID LPejlPRQ65y
InChI InChI=1S/C23H27N3O3/c1-6-16-15(5)23(29)26-20(16)10-19-14(4)17(7-8-22(27)28)21(25-19)9-18-13(3)12(2)11-24-18/h9-11,24H,6-8H2,1-5H3,(H,26,29)(H,27,28)/b20-10+,21-9-
InChIKey POCXUABJVAGQKB-FSBAABDLSA-N
Mol Weight 393.49 g/mol
Molecular Formula C23H27N3O3
Exact Mass 393.205242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgTwYvnYxIm
Name 2H-Pyrrole-3-propanoic acid, 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylene]-5-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-4-methyl-, (Z,Z)-
CAS Registry Number 110121-20-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O3
InChI InChI=1S/C23H27N3O3/c1-6-16-15(5)23(29)26-20(16)10-19-14(4)17(7-8-22(27)28)21(25-19)9-18-13(3)12(2)11-24-18/h9-11,24H,6-8H2,1-5H3,(H,26,29)(H,27,28)/b20-10+,21-9-
InChIKey POCXUABJVAGQKB-FSBAABDLSA-N
Molecular Weight 393.487 g/mol
SMILES N1C(C(=C(\C1=C\C1=N\C(=C/c2[nH]cc(c2C)C)C(=C1C)CCC(=O)O)CC)C)=O
SPLASH splash10-0aor-9000000000-01163f6d6a0ca6a09fe1
Source of Spectrum AH-118-262-2
Synonyms (Z,Z)-4-Ethyl-3-methyl-5-(5-(3,4-dimethyl-1H-pyrrolyl-2-methylen)-4-(2-caboxyethyl)-3-methyl-5H-pyrrolyl-2-methylen)-3-pyrrolin-2-on 3-{(2Z)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylene]-5-[(E)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-3-yl}propanoic acid
Wiley ID 1366319