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trans-3,4-Dihydro-2,2-dimethyl-6-nitro-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
SpectraBase Compound ID 8nQtUla8haa
InChI InChI=1S/C16H22N2O4/c1-16(2)15(19)14(17-8-4-3-5-9-17)12-10-11(18(20)21)6-7-13(12)22-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1
InChIKey HCTZGQKGNBAGKX-LSDHHAIUSA-N
Mol Weight 306.36 g/mol
Molecular Formula C16H22N2O4
Exact Mass 306.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4lXP9tvKOU
Name trans-3,4-Dihydro-2,2-dimethyl-6-nitro-4-(piperidin-1-yl)-2H-1-benzopyran-3-ol
Alternate Name(s) (3R,4S)-2,2-Dimethyl-6-nitro-4-(piperidin-1-yl)chroman-3-ol (3R,4S)-2,2-dimethyl-6-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-chromen-3-ol (3R,4S)-2,2-dimethyl-6-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol (3R,4S)-2,2-dimethyl-6-nitro-4-(1-piperidyl)chroman-3-ol (3S,4R)-2,2-dimethyl-6-nitro-4-(piperidin-1-yl)chroman-3-ol (3R,4S)-2,2-dimethyl-6-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol
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Formula C16H22N2O4
InChI InChI=1S/C16H22N2O4/c1-16(2)15(19)14(17-8-4-3-5-9-17)12-10-11(18(20)21)6-7-13(12)22-16/h6-7,10,14-15,19H,3-5,8-9H2,1-2H3/t14-,15+/m0/s1
InChIKey HCTZGQKGNBAGKX-LSDHHAIUSA-N
Molecular Weight 306.362 g/mol
SMILES O[C@@]1([C@](c2c(OC1(C)C)ccc(N(=O)=O)c2)(N1CCCCC1)[H])[H]
SPLASH splash10-001i-0090000000-f31f3ad164c77261f306
Source of Spectrum QC-23-1035-8h
Wiley ID 1738823