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Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-
SpectraBase Compound ID 4XJC8D4Stmh
InChI InChI=1S/C26H23BrN2O2/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/h1-16,23,25H,17-18H2,(H,28,30)/b16-15+/t23-,25+/m0/s1
InChIKey CGFSDLIRUDUFDH-DTHNYOTBSA-N
Mol Weight 475.39 g/mol
Molecular Formula C26H23BrN2O2
Exact Mass 474.094291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYjUcDnS2Ed
Name Benzeneacetamide, N-[1-[2-(bromomethyl)phenyl]-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-
CAS Registry Number 111708-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23BrN2O2
InChI InChI=1S/C26H23BrN2O2/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/h1-16,23,25H,17-18H2,(H,28,30)/b16-15+/t23-,25+/m0/s1
InChIKey CGFSDLIRUDUFDH-DTHNYOTBSA-N
Molecular Weight 475.386 g/mol
SMILES N([C@@]1([C@@](N(C1=O)c1c(CBr)cccc1)(\C=C\c1ccccc1)[H])[H])C(=O)Cc1ccccc1
SPLASH splash10-00kf-0049000000-85a388875ddcebf6c372
Source of Spectrum I-65-106-16
Synonyms 1-Aza-N-(2'-bromo-phenyl)-3-(benzylcarboxyamino)-4-(2-phenyl-ethenyl)-cyclobuta-2-one N-{(3R,4S)-1-[2-(bromomethyl)phenyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidinyl}-2-phenylacetamide
Wiley ID 1393856