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(3R,4S)-3-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester
SpectraBase Compound ID Ce7rm1q7sAH
InChI InChI=1S/C16H23NO4/c1-9(2)17-13-11-8-10(15(19)20-5)6-7-12(11)21-16(3,4)14(13)18/h6-9,13-14,17-18H,1-5H3/t13-,14+/m0/s1
InChIKey KPNRFWZNLHJXGG-UONOGXRCSA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkLI8pfG5CA
Name (3R,4S)-3-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester
Alternate Name(s) (3R,4S)-3-hydroxy-4-(isopropylamino)-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Methyl (3R,4S)-2,2-dimethyl-3-oxidanyl-4-(propan-2-ylamino)-3,4-dihydrochromene-6-carboxylate Methyl (3R,4S)-3-hydroxy-2,2-dimethyl-4-(propan-2-ylamino)-3,4-dihydrochromene-6-carboxylate Methyl (3R,4S)-3-hydroxy-4-(isopropylamino)-2,2-dimethyl-chromane-6-carboxylate
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Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-9(2)17-13-11-8-10(15(19)20-5)6-7-12(11)21-16(3,4)14(13)18/h6-9,13-14,17-18H,1-5H3/t13-,14+/m0/s1
InChIKey KPNRFWZNLHJXGG-UONOGXRCSA-N
Molecular Weight 293.363 g/mol
SMILES O[C@]1(C(Oc2c([C@@]1(NC(C)C)[H])cc(cc2)C(=O)OC)(C)C)[H]
SPLASH splash10-00dr-2290000000-69b2693cd268bf04b3c4
Source of Spectrum O-20-441-17
Wiley ID 1296349