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(3R,4R)-N-(2-Ethoxyphenyl)-2-hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SpectraBase Compound ID JiqbIga7Pch
InChI InChI=1S/C23H25N3O5/c1-4-29-18-12-8-6-10-16(18)24-22(27)20-21(25-19-13-14(2)26-31-19)15-9-5-7-11-17(15)30-23(20,3)28/h5-13,20-21,25,28H,4H2,1-3H3,(H,24,27)/t20-,21-,23?/m0/s1
InChIKey RPFUZLIXZLDMEA-MMBKUXRPSA-N
Mol Weight 423.47 g/mol
Molecular Formula C23H25N3O5
Exact Mass 423.179421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa4RF3qYhzn
Name (3R,4R)-N-(2-Ethoxyphenyl)-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 C23H25N3O5
InChI InChI=1S/C23H25N3O5/c1-4-29-18-12-8-6-10-16(18)24-22(27)20-21(25-19-13-14(2)26-31-19)15-9-5-7-11-17(15)30-23(20,3)28/h5-13,20-21,25,28H,4H2,1-3H3,(H,24,27)/t20-,21-,23?/m0/s1
InChIKey RPFUZLIXZLDMEA-MMBKUXRPSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 423.469 g/mol
SMILES N(c1c(cccc1)OCC)C([C@]1(C(Oc2c([C@@]1(Nc1onc(c1)C)[H])cccc2)(O)C)[H])=O
SPLASH splash10-052r-3900600000-571d753013e1ad8b32ad
Source of Spectrum BJO-10-SM3-4c
Wiley ID 1854075