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(3S,4R)-4-(Dimethylamino)-2,2-dimethyl-6-nitrochroman-3-ol
SpectraBase Compound ID 5tMzoi3XH8I
InChI InChI=1S/C13H18N2O4/c1-13(2)12(16)11(14(3)4)9-7-8(15(17)18)5-6-10(9)19-13/h5-7,11-12,16H,1-4H3/t11-,12+/m1/s1
InChIKey UOCJIEOZSXAORV-NEPJUHHUSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iyxyDY8qq
Name (3S,4R)-4-(Dimethylamino)-2,2-dimethyl-6-nitrochroman-3-ol
Alternate Name(s) (3S,4R)-4-(dimethylamino)-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-ol (3S,4R)-4-(dimethylamino)-2,2-dimethyl-6-nitro-3,4-dihydrochromen-3-ol
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Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-13(2)12(16)11(14(3)4)9-7-8(15(17)18)5-6-10(9)19-13/h5-7,11-12,16H,1-4H3/t11-,12+/m1/s1
InChIKey UOCJIEOZSXAORV-NEPJUHHUSA-N
Molecular Weight 266.297 g/mol
SMILES O[C@]1([C@@](c2c(OC1(C)C)ccc(N(=O)=O)c2)(N(C)C)[H])[H]
SPLASH splash10-0abc-0690000000-90e5ed811ad5af4226a4
Source of Spectrum QC-23-1035-8g
Wiley ID 1738824