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

View entire compound with spectra: 2 NMR

4H-1-benzopyran-3-carbonitrile, 2-amino-4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-5-oxo-
SpectraBase Compound ID Hoe6nDtxmog
InChI InChI=1S/C16H12Cl2N2O2/c17-10-5-4-8(6-11(10)18)14-9(7-19)16(20)22-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,20H2
InChIKey XKVUONJTQCYDRD-UHFFFAOYSA-N
Mol Weight 335.19 g/mol
Molecular Formula C16H12Cl2N2O2
Exact Mass 334.027583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uoIqnwUhcr
Name 4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-5-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.027583032 u
Formula C16H12Cl2N2O2
InChI InChI=1S/C16H12Cl2N2O2/c17-10-5-4-8(6-11(10)18)14-9(7-19)16(20)22-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,20H2
InChIKey XKVUONJTQCYDRD-UHFFFAOYSA-N
Molecular Weight 335.190 g/mol
SMILES NC1=C(C(C=2C(=O)CCCC2O1)C=1C=C(Cl)C(=CC1)Cl)C#N