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(3R,4S)-6-amino-2,2-dimethyl-7-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol
SpectraBase Compound ID 7uKR5t4b6w9
InChI InChI=1S/C16H23N3O4/c1-16(2)15(20)14(18-6-4-3-5-7-18)10-8-11(17)12(19(21)22)9-13(10)23-16/h8-9,14-15,20H,3-7,17H2,1-2H3/t14-,15+/m0/s1
InChIKey VZYRWTCQALJQGI-LSDHHAIUSA-N
Mol Weight 321.38 g/mol
Molecular Formula C16H23N3O4
Exact Mass 321.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqDMxMm99AR
Name (3R,4S)-6-amino-2,2-dimethyl-7-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol
Alternate Name(s) (3R,4S)-6-amino-2,2-dimethyl-7-nitro-4-(1-piperidyl)chroman-3-ol (3R,4S)-6-amino-2,2-dimethyl-7-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol (3R,4S)-6-amino-2,2-dimethyl-7-nitro-4-piperidino-chroman-3-ol (3R,4S)-6-azanyl-2,2-dimethyl-7-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol
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Formula C16H23N3O4
InChI InChI=1S/C16H23N3O4/c1-16(2)15(20)14(18-6-4-3-5-7-18)10-8-11(17)12(19(21)22)9-13(10)23-16/h8-9,14-15,20H,3-7,17H2,1-2H3/t14-,15+/m0/s1
InChIKey VZYRWTCQALJQGI-LSDHHAIUSA-N
Molecular Weight 321.377 g/mol
SMILES Nc1cc2c(OC([C@@]([C@]2(N2CCCCC2)[H])(O)[H])(C)C)cc1N(=O)=O
SPLASH splash10-001j-9050000000-dc803857f23225c59c8a
Source of Spectrum O-20-442-48
Wiley ID 1320864