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(3R,4R)-2-Hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-N-(o-tolyl)-3,4-dihydro-2H-chromene-3-carboxamide
SpectraBase Compound ID 5lAOVgvCp8w
InChI InChI=1S/C22H23N3O4/c1-13-8-4-6-10-16(13)23-21(26)19-20(24-18-12-14(2)25-29-18)15-9-5-7-11-17(15)28-22(19,3)27/h4-12,19-20,24,27H,1-3H3,(H,23,26)/t19-,20-,22?/m0/s1
InChIKey QDTGWTQKIUXJQG-ZDOMSUIMSA-N
Mol Weight 393.44 g/mol
Molecular Formula C22H23N3O4
Exact Mass 393.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhliJYR0bUE
Name (3R,4R)-2-Hydroxy-2-methyl-4-(3-methylisoxazol-5-ylamino)-N-(o-tolyl)-3,4-dihydro-2H-chromene-3-carboxamide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O4
InChI InChI=1S/C22H23N3O4/c1-13-8-4-6-10-16(13)23-21(26)19-20(24-18-12-14(2)25-29-18)15-9-5-7-11-17(15)28-22(19,3)27/h4-12,19-20,24,27H,1-3H3,(H,23,26)/t19-,20-,22?/m0/s1
InChIKey QDTGWTQKIUXJQG-ZDOMSUIMSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 393.443 g/mol
SMILES N(c1c(cccc1)C)C([C@]1(C(Oc2c([C@@]1(Nc1onc(c1)C)[H])cccc2)(O)C)[H])=O
SPLASH splash10-0a4i-3902000000-d5a4d21d20a0a2e0be29
Source of Spectrum BJO-10-SM4-4f
Wiley ID 1854078