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2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-phenyl-, phenylmethyl ester, (1.alpha.,3.beta.,4.alpha.)-
SpectraBase Compound ID EOFLqab8akK
InChI InChI=1S/C21H21NO2/c23-21(24-15-16-7-3-1-4-8-16)22-19-13-11-18(12-14-19)20(22)17-9-5-2-6-10-17/h1-11,13,18-20H,12,14-15H2/t18-,19+,20?/m1/s1
InChIKey ZUZYSGGJRUIDMN-LFPSWIHMSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E59nTWZAEou
Name 2-Azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-phenyl-, phenylmethyl ester, (1.alpha.,3.beta.,4.alpha.)-
Alternate Name(s) Benzyl 3-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate (phenylmethyl) 2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate 2-Phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid (phenylmethyl) ester 2-Phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid benzyl ester benzyl 2-phenyl-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
CAS Registry Number 43044-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c23-21(24-15-16-7-3-1-4-8-16)22-19-13-11-18(12-14-19)20(22)17-9-5-2-6-10-17/h1-11,13,18-20H,12,14-15H2/t18-,19+,20?/m1/s1
InChIKey ZUZYSGGJRUIDMN-LFPSWIHMSA-N
Molecular Weight 319.404 g/mol
SMILES c1ccc(cc1)COC(N1[C@@]2(CC[C@@](C=C2)(C1c1ccccc1)[H])[H])=O
SPLASH splash10-0006-9220000000-67cbaaf0171a38c3bafe
Source of Spectrum EP-6873-0-0
Wiley ID 1319517