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trans-4-Amino-6-cyano-3-hydroxy-2,2-dimethyl-2H-1-benzopyrane,N-methyl-N-(4-fluorobenzoyl)
SpectraBase Compound ID EOV8lM05Mwh
InChI InChI=1S/C20H19FN2O3/c1-20(2)18(24)17(15-10-12(11-22)4-9-16(15)26-20)23(3)19(25)13-5-7-14(21)8-6-13/h4-10,17-18,24H,1-3H3/t17-,18+/m1/s1
InChIKey AWFALZREFKNGQY-MSOLQXFVSA-N
Mol Weight 354.38 g/mol
Molecular Formula C20H19FN2O3
Exact Mass 354.137971 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OMjt0VW2We
Name trans-4-Amino-6-cyano-3-hydroxy-2,2-dimethyl-2H-1-benzopyrane,N-methyl-N-(4-fluorobenzoyl)
Alternate Name(s) 4-[1-Amino-2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-2,2-dimethyl-6-chromanecarbonitrile 6-cyano-2,2-dimethyl-trans-4-(4-fluorobenzoyl-N-methylamino)-2H-1-benzopyran-3-ol N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-4-yl]-4-fluoro-N-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19FN2O3
InChI InChI=1S/C20H19FN2O3/c1-20(2)18(24)17(15-10-12(11-22)4-9-16(15)26-20)23(3)19(25)13-5-7-14(21)8-6-13/h4-10,17-18,24H,1-3H3/t17-,18+/m1/s1
InChIKey AWFALZREFKNGQY-MSOLQXFVSA-N
Molecular Weight 354.381 g/mol
SMILES O[C@]1([C@@](c2c(ccc(C#N)c2)OC1(C)C)(N(C(c1ccc(cc1)F)=O)C)[H])[H]
SPLASH splash10-00di-1902000000-f803ba1ec5aea43be826
Source of Spectrum O-30-1023-0
Wiley ID 1344577