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1H-Pyrrole-3-acetic acid, 5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2,5-dihydro-4-methyl-2-oxo-, (Z)-
SpectraBase Compound ID 2ZfWpUkG0C7
InChI InChI=1S/C16H20N2O3/c1-5-11-8(2)13(17-10(11)4)7-14-9(3)12(6-15(19)20)16(21)18-14/h7,17H,5-6H2,1-4H3,(H,18,21)(H,19,20)/b14-7-
InChIKey YJKGBCMXSVPCLT-AUWJEWJLSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsSAobgJWe0
Name 1H-Pyrrole-3-acetic acid, 5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2,5-dihydro-4-methyl-2-oxo-, (Z)-
CAS Registry Number 114605-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c1-5-11-8(2)13(17-10(11)4)7-14-9(3)12(6-15(19)20)16(21)18-14/h7,17H,5-6H2,1-4H3,(H,18,21)(H,19,20)/b14-7-
InChIKey YJKGBCMXSVPCLT-AUWJEWJLSA-N
Molecular Weight 288.347 g/mol
SMILES N1\C(C(=C(CC(=O)O)C1=O)C)=C/c1[nH]c(c(c1C)CC)C
SPLASH splash10-01rl-0190000000-849123a14f3016e8b07f
Source of Spectrum AH-118-980-3
Synonyms 4-Hydroxycarbonyl-4'-ethyl 3,3',5'-trimethyl-2,2'-pyrromethenone {(5Z)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-methyl-2-oxo-2,5-dihydro-1H-pyrrol-3-yl}acetic acid
Wiley ID 1291747