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(2S)-2-amino-2-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

View entire compound with spectra: 1 MS (GC)

(2S)-2-amino-2-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SpectraBase Compound ID IlJuI8ppK8c
InChI InChI=1S/C19H22N2O4/c1-12(18(22)13-6-4-3-5-7-13)21(2)19(23)17(20)14-8-9-15-16(10-14)25-11-24-15/h3-10,12,17-18,22H,11,20H2,1-2H3/t12-,17-,18+/m0/s1
InChIKey DBKGOZJDPAFXNQ-UYHISHBKSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LEvqTBNnn8I
Name (2S)-2-amino-2-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-12(18(22)13-6-4-3-5-7-13)21(2)19(23)17(20)14-8-9-15-16(10-14)25-11-24-15/h3-10,12,17-18,22H,11,20H2,1-2H3/t12-,17-,18+/m0/s1
InChIKey DBKGOZJDPAFXNQ-UYHISHBKSA-N
Molecular Weight 342.395 g/mol
SMILES O[C@]([C@@](N(C([C@](c1cc2OCOc2cc1)(N)[H])=O)C)(C)[H])(c1ccccc1)[H]
SPLASH splash10-03di-0900000000-f89bf4592a3fed644719
Source of Spectrum K1-2001-4347-3
Synonyms (2S)-2-amino-2-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-N-methyl-acetamide (2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1S,2S)-1-oxidanyl-1-phenyl-propan-2-yl]ethanamide
Wiley ID 813702