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2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID HRpFqhMrbD7
InChI InChI=1S/C16H13FN2O2/c17-10-4-1-3-9(7-10)14-11(8-18)16(19)21-13-6-2-5-12(20)15(13)14/h1,3-4,7,14H,2,5-6,19H2
InChIKey ZKBQIEXFNPGBTI-UHFFFAOYSA-N
Mol Weight 284.29 g/mol
Molecular Formula C16H13FN2O2
Exact Mass 284.096106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0KZ3TsB3lx
Name 2-Amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS Registry Number 107752-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13FN2O2
InChI InChI=1S/C16H13FN2O2/c17-10-4-1-3-9(7-10)14-11(8-18)16(19)21-13-6-2-5-12(20)15(13)14/h1,3-4,7,14H,2,5-6,19H2
InChIKey ZKBQIEXFNPGBTI-UHFFFAOYSA-N
Molecular Weight 284.290 g/mol
SMILES NC1=C(C(C=2C(=O)CCCC2O1)c1cc(F)ccc1)C#N
SPLASH splash10-000i-8920000000-f1b7f8cf4a49372863e9
Source of Spectrum AD-0-2532-0
Synonyms 2-Amino-4-(3-fluorophenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Amino-4-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile 2-Amino-4-(3-fluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Azanyl-4-(3-fluorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Chromane-3-carbonitrile, 2,3-dehydro-5,6,7,8-tetrahydro-2-amino-4-(3-fluorophenyl)-5-oxo-
Wiley ID 1426562