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2-Azabicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid, 3-methyl 2-(phenylmethyl) ester, (1.alpha.,3.beta.,4.alpha.)-
SpectraBase Compound ID HpVJBZsFxL4
InChI InChI=1S/C17H19NO4/c1-21-16(19)15-13-7-9-14(10-8-13)18(15)17(20)22-11-12-5-3-2-4-6-12/h2-7,9,13-15H,8,10-11H2,1H3/t13-,14+,15-/m0/s1
InChIKey VSUFWUCVOGFUAJ-ZNMIVQPWSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuZ6qHpyBk8
Name 2-Azabicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid, 3-methyl 2-(phenylmethyl) ester, (1.alpha.,3.beta.,4.alpha.)-
CAS Registry Number 66007-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-21-16(19)15-13-7-9-14(10-8-13)18(15)17(20)22-11-12-5-3-2-4-6-12/h2-7,9,13-15H,8,10-11H2,1H3/t13-,14+,15-/m0/s1
InChIKey VSUFWUCVOGFUAJ-ZNMIVQPWSA-N
Molecular Weight 301.342 g/mol
SMILES C(N1[C@](C(=O)OC)([C@@]2([H])C=C[C@@]1(CC2)[H])[H])(OCc1ccccc1)=O
SPLASH splash10-0ai3-0930000000-e0d279e28347c19547a0
Source of Spectrum KC-1977-2345-0
Synonyms 2-Benzyl 3-methyl (1S,3S,4R)-2-azabicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate endo-methyl 2-benzyloxycarbonyl-2-azabicyclo[2.2.2]oct-5-ene-3-carboxylate exo-methyl 2-benzyloxycarbonyl-2-azabicyclo[2.2.2]oct-5-ene-3-carboxylate
Wiley ID 1303853