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(3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
SpectraBase Compound ID F9WdyV2839D
InChI InChI=1S/C16H21N3O2/c1-16(2)15(20)14(19-5-3-4-6-19)11-7-10(9-17)12(18)8-13(11)21-16/h7-8,14-15,20H,3-6,18H2,1-2H3/t14-,15+/m0/s1
InChIKey OAXULCONQFQPIU-LSDHHAIUSA-N
Mol Weight 287.36 g/mol
Molecular Formula C16H21N3O2
Exact Mass 287.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XK9pRm7Qt9
Name (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile
Alternate Name(s) (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-pyrrolidin-1-yl-chromane-6-carbonitrile (3R,4S)-7-amino-3-hydroxy-2,2-dimethyl-4-pyrrolidino-chroman-6-carbonitrile (3R,4S)-7-azanyl-2,2-dimethyl-3-oxidanyl-4-pyrrolidin-1-yl-3,4-dihydrochromene-6-carbonitrile
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Formula C16H21N3O2
InChI InChI=1S/C16H21N3O2/c1-16(2)15(20)14(19-5-3-4-6-19)11-7-10(9-17)12(18)8-13(11)21-16/h7-8,14-15,20H,3-6,18H2,1-2H3/t14-,15+/m0/s1
InChIKey OAXULCONQFQPIU-LSDHHAIUSA-N
Molecular Weight 287.363 g/mol
SMILES O[C@]1(C(Oc2c(cc(c(c2)N)C#N)[C@@]1(N1CCCC1)[H])(C)C)[H]
SPLASH splash10-014i-5960000000-9177ea28a5bbf84654a6
Source of Spectrum O-20-442-33
Wiley ID 1290838