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2-(N-(4-Chlorobenzyl)acetamido)-N-(2-oxo-2-(prop-2-yn-1-ylamino)ethyl)-2-phenylacetamide
SpectraBase Compound ID Az8qedsAbJB
InChI InChI=1S/C22H22ClN3O3/c1-3-13-24-20(28)14-25-22(29)21(18-7-5-4-6-8-18)26(16(2)27)15-17-9-11-19(23)12-10-17/h1,4-12,21H,13-15H2,2H3,(H,24,28)(H,25,29)
InChIKey GGINOKRGXUTQLM-UHFFFAOYSA-N
Mol Weight 411.89 g/mol
Molecular Formula C22H22ClN3O3
Exact Mass 411.134969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4h1ndXtvbpo
Name 2-(N-(4-Chlorobenzyl)acetamido)-N-(2-oxo-2-(prop-2-yn-1-ylamino)ethyl)-2-phenylacetamide
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22ClN3O3
InChI InChI=1S/C22H22ClN3O3/c1-3-13-24-20(28)14-25-22(29)21(18-7-5-4-6-8-18)26(16(2)27)15-17-9-11-19(23)12-10-17/h1,4-12,21H,13-15H2,2H3,(H,24,28)(H,25,29)
InChIKey GGINOKRGXUTQLM-UHFFFAOYSA-N
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900198
Molecular Weight 411.889 g/mol
SMILES N(C(C(c1ccccc1)N(C(C)=O)Cc1ccc(cc1)Cl)=O)CC(NCC#C)=O
SPLASH splash10-0059-0950000000-8f2d1d7ace759b810477
Source of Spectrum U1-2019-SM17-7g
Thin-Layer Chromatography Rf = 0.33 (ethyl acetate)
Wiley ID 1846027