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(3R,4R)-2-Hydroxy-N-(2-hydroxyphenyl)-2-methyl-4-(3-methylisoxazol-5-ylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SpectraBase Compound ID 1lcHFX0gucb
InChI InChI=1S/C21H21N3O5/c1-12-11-17(29-24-12)23-19-13-7-3-6-10-16(13)28-21(2,27)18(19)20(26)22-14-8-4-5-9-15(14)25/h3-11,18-19,23,25,27H,1-2H3,(H,22,26)/t18-,19-,21?/m0/s1
InChIKey XDEUCMGQCRPIAP-CHEUHSMRSA-N
Mol Weight 395.42 g/mol
Molecular Formula C21H21N3O5
Exact Mass 395.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ePsSdQsjir
Name (3R,4R)-2-Hydroxy-N-(2-hydroxyphenyl)-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 C21H21N3O5
InChI InChI=1S/C21H21N3O5/c1-12-11-17(29-24-12)23-19-13-7-3-6-10-16(13)28-21(2,27)18(19)20(26)22-14-8-4-5-9-15(14)25/h3-11,18-19,23,25,27H,1-2H3,(H,22,26)/t18-,19-,21?/m0/s1
InChIKey XDEUCMGQCRPIAP-CHEUHSMRSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 395.415 g/mol
SMILES Oc1ccccc1NC([C@]1(C(Oc2c([C@@]1(Nc1onc(c1)C)[H])cccc2)(O)C)[H])=O
SPLASH splash10-0a6r-4906000000-8986ab60f02412d0504b
Source of Spectrum BJO-10-SM4-4h
Wiley ID 1854080