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Benzeneacetamide, N-[1-[2-(bromomethyl)-6-(phenylmethoxy)phenyl]-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-
SpectraBase Compound ID KkWFK53JCEp
InChI InChI=1S/C33H29BrN2O3/c34-22-27-17-10-18-29(39-23-26-15-8-3-9-16-26)32(27)36-28(20-19-24-11-4-1-5-12-24)31(33(36)38)35-30(37)21-25-13-6-2-7-14-25/h1-20,28,31H,21-23H2,(H,35,37)/b20-19+/t28-,31+/m0/s1
InChIKey OUQCELQPMKZNSG-UGAKMSJOSA-N
Mol Weight 581.5 g/mol
Molecular Formula C33H29BrN2O3
Exact Mass 580.136156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uFf7fuNLZ5
Name Benzeneacetamide, N-[1-[2-(bromomethyl)-6-(phenylmethoxy)phenyl]-2-oxo-4-(2-phenylethenyl)-3-azetidinyl]-, [3.alpha.,4.alpha.(E)]-
CAS Registry Number 111708-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H29BrN2O3
InChI InChI=1S/C33H29BrN2O3/c34-22-27-17-10-18-29(39-23-26-15-8-3-9-16-26)32(27)36-28(20-19-24-11-4-1-5-12-24)31(33(36)38)35-30(37)21-25-13-6-2-7-14-25/h1-20,28,31H,21-23H2,(H,35,37)/b20-19+/t28-,31+/m0/s1
InChIKey OUQCELQPMKZNSG-UGAKMSJOSA-N
Molecular Weight 581.510 g/mol
SMILES N([C@@]1([C@@](N(C1=O)c1c(CBr)cccc1OCc1ccccc1)(\C=C\c1ccccc1)[H])[H])C(=O)Cc1ccccc1
SPLASH splash10-0udi-0001190000-d7d4a8356dd4c85721f0
Source of Spectrum I-65-106-17
Synonyms 1-Aza-N-(2'-bromo-6'-benzyloxy-phenyl)-3-(benzylcarboxyamino)-4-(2-phenyl-ethenyl)-cyclobuta-2-one N-{(3R,4S)-1-[2-(benzyloxy)-6-(bromomethyl)phenyl]-2-oxo-4-[(E)-2-phenylethenyl]azetidinyl}-2-phenylacetamide
Wiley ID 1408509