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cis-(N-3,5-Dinitrobenzoyl)-3-amino-4-phenyl-1-prop-2-enyl-2-azetidinone
SpectraBase Compound ID GTQ70WUWt6Z
InChI InChI=1S/C19H16N4O6/c1-2-8-21-17(12-6-4-3-5-7-12)16(19(21)25)20-18(24)13-9-14(22(26)27)11-15(10-13)23(28)29/h2-7,9-11,16-17H,1,8H2,(H,20,24)/t16-,17+/m0/s1
InChIKey HLZDDRPYSZXYEW-DLBZAZTESA-N
Mol Weight 396.36 g/mol
Molecular Formula C19H16N4O6
Exact Mass 396.106984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE8njYqaNXU
Name cis-(N-3,5-Dinitrobenzoyl)-3-amino-4-phenyl-1-prop-2-enyl-2-azetidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4O6
InChI InChI=1S/C19H16N4O6/c1-2-8-21-17(12-6-4-3-5-7-12)16(19(21)25)20-18(24)13-9-14(22(26)27)11-15(10-13)23(28)29/h2-7,9-11,16-17H,1,8H2,(H,20,24)/t16-,17+/m0/s1
InChIKey HLZDDRPYSZXYEW-DLBZAZTESA-N
Literature Reference DOI 10.5012/bkcs.2010.31.03.620
Molecular Weight 396.359 g/mol
SMILES N(C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])=O)[C@]1([C@@](N(CC=C)C1=O)([H])c1ccccc1)[H]
SPLASH splash10-000b-2902000000-7ea2480f224d3d120e44
Source of Spectrum QB-31-1-4
Synonyms N-((3S,4R)-1-allyl-2-oxo-4-phenylazetidin-3-yl)-3,5-dinitrobenzamide
Wiley ID 1743633