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

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4H-1-benzopyran-3-carbonitrile, 2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
SpectraBase Compound ID Knh2vB4ZhVe
InChI InChI=1S/C18H16BrFN2O2/c1-18(2)6-13(23)16-14(7-18)24-17(22)11(8-21)15(16)10-5-9(19)3-4-12(10)20/h3-5,15H,6-7,22H2,1-2H3
InChIKey MMLUDGBHLFJILG-UHFFFAOYSA-N
Mol Weight 391.24 g/mol
Molecular Formula C18H16BrFN2O2
Exact Mass 390.037919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BQTHyq7S1r1
Name 4H-1-benzopyran-3-carbonitrile, 2-amino-4-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.037918924 u
Formula C18H16BrFN2O2
InChI InChI=1S/C18H16BrFN2O2/c1-18(2)6-13(23)16-14(7-18)24-17(22)11(8-21)15(16)10-5-9(19)3-4-12(10)20/h3-5,15H,6-7,22H2,1-2H3
InChIKey MMLUDGBHLFJILG-UHFFFAOYSA-N
Molecular Weight 391.240 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5068
Solvent DMSO-d6
Source Vendor ID: NMR/9291166; Lab Info: VUR; Lab Number: VUR-0000579