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4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, 2-amino-4-(2,3-dichlorophenyl)-7-methyl-5-oxo-
SpectraBase Compound ID 4KwmGuPXYhX
InChI InChI=1S/C16H10Cl2N2O3/c1-7-5-11-13(16(21)22-7)12(9(6-19)15(20)23-11)8-3-2-4-10(17)14(8)18/h2-5,12H,20H2,1H3
InChIKey AQJQVFINWMIQMX-UHFFFAOYSA-N
Mol Weight 349.17 g/mol
Molecular Formula C16H10Cl2N2O3
Exact Mass 348.006848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fl926J0Nkma
Name 4H,5H-Pyrano[4,3-B]pyran-3-carbonitrile, 2-amino-4-(2,3-dichlorophenyl)-7-methyl-5-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.006847587 u
Formula C16H10Cl2N2O3
InChI InChI=1S/C16H10Cl2N2O3/c1-7-5-11-13(16(21)22-7)12(9(6-19)15(20)23-11)8-3-2-4-10(17)14(8)18/h2-5,12H,20H2,1H3
InChIKey AQJQVFINWMIQMX-UHFFFAOYSA-N
Molecular Weight 349.173 g/mol
SMILES NC=1OC2=C(C(C1C#N)C=1C(=C(Cl)C=CC1)Cl)C(OC(C)=C2)=O