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(3R,4R)-2-Hydroxy-N-(2-methoxyphenyl)-2-methyl-4-(3-methylisoxazol-5-ylamino)-3,4-dihydro-2H-chromene-3-carboxamide
SpectraBase Compound ID B9x6AZ42ebf
InChI InChI=1S/C22H23N3O5/c1-13-12-18(30-25-13)24-20-14-8-4-6-10-16(14)29-22(2,27)19(20)21(26)23-15-9-5-7-11-17(15)28-3/h4-12,19-20,24,27H,1-3H3,(H,23,26)/t19-,20-,22?/m0/s1
InChIKey ULKTWSGAEQLMKG-ZDOMSUIMSA-N
Mol Weight 409.44 g/mol
Molecular Formula C22H23N3O5
Exact Mass 409.163771 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eWFyGbUENK
Name (3R,4R)-2-Hydroxy-N-(2-methoxyphenyl)-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 C22H23N3O5
InChI InChI=1S/C22H23N3O5/c1-13-12-18(30-25-13)24-20-14-8-4-6-10-16(14)29-22(2,27)19(20)21(26)23-15-9-5-7-11-17(15)28-3/h4-12,19-20,24,27H,1-3H3,(H,23,26)/t19-,20-,22?/m0/s1
InChIKey ULKTWSGAEQLMKG-ZDOMSUIMSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 409.442 g/mol
SMILES N(c1c(cccc1)OC)C([C@]1(C(Oc2c([C@@]1(Nc1onc(c1)C)[H])cccc2)(O)C)[H])=O
SPLASH splash10-00dl-4904100000-4352c4ec40cf9e7d0ff6
Source of Spectrum BJO-10-SM2-4a
Wiley ID 1854073