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4H-1-benzopyran-3-carbonitrile, 2-amino-4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-

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4H-1-benzopyran-3-carbonitrile, 2-amino-4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
SpectraBase Compound ID 6Q2CuDWk5B4
InChI InChI=1S/C18H16Cl2N2O2/c1-18(2)6-12(23)15-13(7-18)24-17(22)10(8-21)14(15)9-4-3-5-11(19)16(9)20/h3-5,14H,6-7,22H2,1-2H3
InChIKey PHRJHDBSKJINKV-UHFFFAOYSA-N
Mol Weight 363.24 g/mol
Molecular Formula C18H16Cl2N2O2
Exact Mass 362.058883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ai8gAzFUGdC
Name 4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(2,3-dichlorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.058883161 u
Formula C18H16Cl2N2O2
InChI InChI=1S/C18H16Cl2N2O2/c1-18(2)6-12(23)15-13(7-18)24-17(22)10(8-21)14(15)9-4-3-5-11(19)16(9)20/h3-5,14H,6-7,22H2,1-2H3
InChIKey PHRJHDBSKJINKV-UHFFFAOYSA-N
Molecular Weight 363.244 g/mol
SMILES NC1=C(C(C=2C(CC(CC2O1)(C)C)=O)C1=C(C(Cl)=CC=C1)Cl)C#N