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2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-[(benzoyloxy)methyl]-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-
SpectraBase Compound ID Hnk6vyO18cB
InChI InChI=1S/C23H23NO4/c25-22(19-9-5-2-6-10-19)27-16-21-18-11-13-20(14-12-18)24(21)23(26)28-15-17-7-3-1-4-8-17/h1-11,13,18,20-21H,12,14-16H2/t18-,20+,21-/m0/s1
InChIKey BUSBQXKXMNSGLR-TYPHKJRUSA-N
Mol Weight 377.44 g/mol
Molecular Formula C23H23NO4
Exact Mass 377.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVrJDIv6o7H
Name 2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-[(benzoyloxy)methyl]-, phenylmethyl ester, (1.alpha.,3.alpha.,4.alpha.)-
CAS Registry Number 65961-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO4
InChI InChI=1S/C23H23NO4/c25-22(19-9-5-2-6-10-19)27-16-21-18-11-13-20(14-12-18)24(21)23(26)28-15-17-7-3-1-4-8-17/h1-11,13,18,20-21H,12,14-16H2/t18-,20+,21-/m0/s1
InChIKey BUSBQXKXMNSGLR-TYPHKJRUSA-N
Molecular Weight 377.440 g/mol
SMILES C(N1[C@@](COC(=O)c2ccccc2)([C@@]2([H])C=C[C@@]1(CC2)[H])[H])(OCc1ccccc1)=O
SPLASH splash10-0ab9-0910000000-fbbd5a22b6832f6bd783
Source of Spectrum KC-1977-2346-0
Synonyms 2-Benzyloxycarbonyl-2-azabicyclo[2.2.2]oct-5-en-3-yl methyl benzoate benzyl (1S,3R,4R)-3-[(benzoyloxy)methyl]-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
Wiley ID 1358318