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Furo[3, 2-b]pyrrole-5-carboxylic acid, 4-benzyl-2-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-, methyl ester
SpectraBase Compound ID 4Hw5UBeLVng
InChI InChI=1S/C20H16N2O5/c1-25-19(23)14(11-21)8-15-9-16-18(27-15)10-17(20(24)26-2)22(16)12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3/b14-8+
InChIKey RYJIMLOOZBWKBC-RIYZIHGNSA-N
Mol Weight 364.36 g/mol
Molecular Formula C20H16N2O5
Exact Mass 364.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGHeZbEeaWn
Name Furo[3, 2-B]pyrrole-5-carboxylic acid, 4-benzyl-2-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.105921618 u
Formula C20H16N2O5
InChI InChI=1S/C20H16N2O5/c1-25-19(23)14(11-21)8-15-9-16-18(27-15)10-17(20(24)26-2)22(16)12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3/b14-8+
InChIKey RYJIMLOOZBWKBC-RIYZIHGNSA-N
Molecular Weight 364.357 g/mol
SMILES C1=CC=C(C=C1)CN1C2=C(OC(\C=C\(C(=O)OC)C#N)=C2)C=C1C(=O)OC