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(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester
SpectraBase Compound ID kBx8i60hgK
InChI InChI=1S/C13H17NO4/c1-13(2)11(15)10(14)8-6-7(12(16)17-3)4-5-9(8)18-13/h4-6,10-11,15H,14H2,1-3H3/t10-,11+/m0/s1
InChIKey HEUBVHRALABUGZ-WDEREUQCSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z52aRrr7WU
Name (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester
Alternate Name(s) (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Methyl (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Methyl (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chromane-6-carboxylate Methyl (3R,4S)-4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate
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Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-13(2)11(15)10(14)8-6-7(12(16)17-3)4-5-9(8)18-13/h4-6,10-11,15H,14H2,1-3H3/t10-,11+/m0/s1
InChIKey HEUBVHRALABUGZ-WDEREUQCSA-N
Molecular Weight 251.282 g/mol
SMILES O[C@]1(C(Oc2c([C@@]1(N)[H])cc(cc2)C(=O)OC)(C)C)[H]
SPLASH splash10-003r-1900000000-e7cc19322b3ee471b44f
Source of Spectrum O-20-441-5
Wiley ID 1254496