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4-Benzo[1,3]dioxol-5-ylmethylene-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
SpectraBase Compound ID DOeqmRP5Ubf
InChI InChI=1S/C21H17NO5/c1-13-19(21(24)25-2)16(20(23)22(13)15-6-4-3-5-7-15)10-14-8-9-17-18(11-14)27-12-26-17/h3-11H,12H2,1-2H3/b16-10+
InChIKey SMKFWZJEBTZTAF-MHWRWJLKSA-N
Mol Weight 363.37 g/mol
Molecular Formula C21H17NO5
Exact Mass 363.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3hB5Ms1cV1
Name 4-Benzo[1,3]dioxol-5-ylmethylene-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO5
InChI InChI=1S/C21H17NO5/c1-13-19(21(24)25-2)16(20(23)22(13)15-6-4-3-5-7-15)10-14-8-9-17-18(11-14)27-12-26-17/h3-11H,12H2,1-2H3/b16-10+
InChIKey SMKFWZJEBTZTAF-MHWRWJLKSA-N
Molecular Weight 363.369 g/mol
SMILES C=1(\C(C(=O)N(C1C)c1ccccc1)=C/c1cc2OCOc2cc1)C(=O)OC
SPLASH splash10-016r-8921000000-cf982e082a7f430e4030
Synonyms (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenyl-3-pyrrolecarboxylic acid methyl ester (4E)-5-keto-2-methyl-1-phenyl-4-piperonylidene-2-pyrroline-3-carboxylic acid methyl ester Methyl (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate Methyl (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1-phenyl-pyrrole-3-carboxylate Methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxidanylidene-1-phenyl-pyrrole-3-carboxylate Methyl (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-phenylpyrrole-3-carboxylate Methyl 4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
Wiley ID 1463835