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1H-Pyrrole-1-acetic acid, 2-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-5-formyl-, ethyl ester
SpectraBase Compound ID CcNqeTXRLq0
InChI InChI=1S/C15H16N2O5/c1-3-21-14(19)9-17-12(5-6-13(17)10-18)7-11(8-16)15(20)22-4-2/h5-7,10H,3-4,9H2,1-2H3/b11-7+
InChIKey RBZXOFWOVRAMJW-YRNVUSSQSA-N
Mol Weight 304.3 g/mol
Molecular Formula C15H16N2O5
Exact Mass 304.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ejKmi6d4m7
Name 1H-Pyrrole-1-acetic acid, 2-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-5-formyl-, ethyl ester
Alternate Name(s) 1-(ethoxycarbonyl)methyl-2-(ethoxycarbonylcyanomethyl)-5-formylpyrrole Ethyl (2E)-2-cyano-3-[1-(2-ethoxy-2-oxoethyl)-5-formyl-1H-pyrrol-2-yl]-2-propenoate
CAS Registry Number 70777-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O5
InChI InChI=1S/C15H16N2O5/c1-3-21-14(19)9-17-12(5-6-13(17)10-18)7-11(8-16)15(20)22-4-2/h5-7,10H,3-4,9H2,1-2H3/b11-7+
InChIKey RBZXOFWOVRAMJW-YRNVUSSQSA-N
Molecular Weight 304.302 g/mol
SMILES c1([n](c(cc1)C=O)CC(=O)OCC)\C=C\(C(=O)OCC)C#N
SPLASH splash10-0zfr-0693000000-dfc02d9fa0f12c9dc942
Source of Spectrum SB-33-130-0
Wiley ID 1306216