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(3R,4R)-2-Hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-N-phenyl-3,4-dihydro-2H-chromene-3-carboxamide
SpectraBase Compound ID 95LJSpgTKgG
InChI InChI=1S/C21H21N3O4/c1-13-12-17(28-24-13)23-19-15-10-6-7-11-16(15)27-21(2,26)18(19)20(25)22-14-8-4-3-5-9-14/h3-12,18-19,23,26H,1-2H3,(H,22,25)/t18-,19-,21?/m0/s1
InChIKey MIUUZHHDHWLKLO-CHEUHSMRSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KB2jt93oPIp
Name (3R,4R)-2-Hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-N-phenyl-3,4-dihydro-2H-chromene-3-carboxamide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-13-12-17(28-24-13)23-19-15-10-6-7-11-16(15)27-21(2,26)18(19)20(25)22-14-8-4-3-5-9-14/h3-12,18-19,23,26H,1-2H3,(H,22,25)/t18-,19-,21?/m0/s1
InChIKey MIUUZHHDHWLKLO-CHEUHSMRSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 379.416 g/mol
SMILES N(c1ccccc1)C([C@]1(C(Oc2c([C@@]1(Nc1onc(c1)C)[H])cccc2)(O)C)[H])=O
SPLASH splash10-0006-9305000000-d8f5057882a276b5996f
Source of Spectrum BJO-10-SM3-4b
Wiley ID 1854074