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Benzeneacetamide, N-[1-(2-bromophenyl)-2-oxo-4-(phenylethynyl)-3-azetidinyl]-, cis-
SpectraBase Compound ID BXr4CvlgfoN
InChI InChI=1S/C25H19BrN2O2/c26-20-13-7-8-14-21(20)28-22(16-15-18-9-3-1-4-10-18)24(25(28)30)27-23(29)17-19-11-5-2-6-12-19/h1-14,22,24H,17H2,(H,27,29)/t22-,24+/m0/s1
InChIKey CGOJFSHLGUGOLD-LADGPHEKSA-N
Mol Weight 459.34 g/mol
Molecular Formula C25H19BrN2O2
Exact Mass 458.062991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIsmIDItKuQ
Name Benzeneacetamide, N-[1-(2-bromophenyl)-2-oxo-4-(phenylethynyl)-3-azetidinyl]-, cis-
Alternate Name(s) 1-Aza-N-(2'-bromo-phenyl)-3-(benzylcarboxyamino)-4-(2-phenyl-ethynyl)-cyclobutan-2-one N-[(3R,4S)-1-(2-bromophenyl)-2-oxo-4-(phenylethynyl)azetidinyl]-2-phenylacetamide
CAS Registry Number 111708-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19BrN2O2
InChI InChI=1S/C25H19BrN2O2/c26-20-13-7-8-14-21(20)28-22(16-15-18-9-3-1-4-10-18)24(25(28)30)27-23(29)17-19-11-5-2-6-12-19/h1-14,22,24H,17H2,(H,27,29)/t22-,24+/m0/s1
InChIKey CGOJFSHLGUGOLD-LADGPHEKSA-N
Molecular Weight 459.343 g/mol
SMILES N([C@@]1([C@@](N(C1=O)c1c(Br)cccc1)(C#Cc1ccccc1)[H])[H])C(=O)Cc1ccccc1
SPLASH splash10-0020-0190000000-b1f279a80709e3c09525
Source of Spectrum I-65-106-5
Wiley ID 1389860