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(3R,4R)-N-(2,4-Dimethylphenyl)-2-hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SpectraBase Compound ID GSwac91UbR6
InChI InChI=1S/C23H25N3O4/c1-13-9-10-17(14(2)11-13)24-22(27)20-21(25-19-12-15(3)26-30-19)16-7-5-6-8-18(16)29-23(20,4)28/h5-12,20-21,25,28H,1-4H3,(H,24,27)/t20-,21-,23?/m0/s1
InChIKey NVASDITXAMQFNB-MMBKUXRPSA-N
Mol Weight 407.47 g/mol
Molecular Formula C23H25N3O4
Exact Mass 407.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0mcjqDBwqY
Name (3R,4R)-N-(2,4-Dimethylphenyl)-2-hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-3,4-dihydro-2H-chromene-3-carboxamide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O4
InChI InChI=1S/C23H25N3O4/c1-13-9-10-17(14(2)11-13)24-22(27)20-21(25-19-12-15(3)26-30-19)16-7-5-6-8-18(16)29-23(20,4)28/h5-12,20-21,25,28H,1-4H3,(H,24,27)/t20-,21-,23?/m0/s1
InChIKey NVASDITXAMQFNB-MMBKUXRPSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 407.470 g/mol
SMILES N(c1c(cc(cc1)C)C)C([C@]1(C(Oc2c([C@@]1(Nc1onc(c1)C)[H])cccc2)(O)C)[H])=O
SPLASH splash10-00dr-3905100000-24ca01695e6431d8e590
Source of Spectrum BJO-10-SM4-4g
Wiley ID 1854079