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6-Amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-(p-tolyl)-4H-pyran-3-carboxylic acid methyl ester
SpectraBase Compound ID EOpuhhlefjT
InChI InChI=1S/C18H18N2O5/c1-10-4-6-11(7-5-10)15-12(9-19)17(20)25-13(8-14(21)23-2)16(15)18(22)24-3/h4-7,15H,8,20H2,1-3H3
InChIKey PXNODKJWWYCJEX-UHFFFAOYSA-N
Mol Weight 342.35 g/mol
Molecular Formula C18H18N2O5
Exact Mass 342.121572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fw9BTAMzUof
Name 6-Amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-(p-tolyl)-4H-pyran-3-carboxylic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.121571683 u
Formula C18H18N2O5
InChI InChI=1S/C18H18N2O5/c1-10-4-6-11(7-5-10)15-12(9-19)17(20)25-13(8-14(21)23-2)16(15)18(22)24-3/h4-7,15H,8,20H2,1-3H3
InChIKey PXNODKJWWYCJEX-UHFFFAOYSA-N
Molecular Weight 342.351 g/mol
SMILES C1(=C(OC(=C(C1C1=CC=C(C=C1)C)C#N)N)CC(=O)OC)C(=O)OC