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Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-2-oxo-4-(phenylethynyl)-3-azetidinyl]-, cis-
SpectraBase Compound ID EgN9ANy84Br
InChI InChI=1S/C26H21BrN2O2/c27-18-21-13-7-8-14-22(21)29-23(16-15-19-9-3-1-4-10-19)25(26(29)31)28-24(30)17-20-11-5-2-6-12-20/h1-14,23,25H,17-18H2,(H,28,30)/t23-,25+/m0/s1
InChIKey JMPFBSSQJQRJSZ-UKILVPOCSA-N
Mol Weight 473.37 g/mol
Molecular Formula C26H21BrN2O2
Exact Mass 472.078641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMIuUklZu60
Name Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-2-oxo-4-(phenylethynyl)-3-azetidinyl]-, cis-
CAS Registry Number 111708-57-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21BrN2O2
InChI InChI=1S/C26H21BrN2O2/c27-18-21-13-7-8-14-22(21)29-23(16-15-19-9-3-1-4-10-19)25(26(29)31)28-24(30)17-20-11-5-2-6-12-20/h1-14,23,25H,17-18H2,(H,28,30)/t23-,25+/m0/s1
InChIKey JMPFBSSQJQRJSZ-UKILVPOCSA-N
Molecular Weight 473.370 g/mol
SMILES N([C@@]1([C@@](N(C1=O)c1c(CBr)cccc1)(C#Cc1ccccc1)[H])[H])C(=O)Cc1ccccc1
SPLASH splash10-014i-0290000000-103a9e1d38d84af1e05f
Source of Spectrum I-65-106-18
Synonyms 1-Aza-N-(2'-bromomethyl-phenyl)-3-(benzylcarboxyamino)-4-(2-phenyl-ethynyl)-cyclobuta-2-one N-[(3R,4S)-1-[2-(bromomethyl)phenyl]-2-oxo-4-(phenylethynyl)azetidinyl]-2-phenylacetamide
Wiley ID 1393343