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8-Acetyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
SpectraBase Compound ID 9A5ceF2NPgE
InChI InChI=1S/C18H21NO3/c1-12(20)15-8-14-9-16(18(21)22-2)17(15)19(11-14)10-13-6-4-3-5-7-13/h3-7,9,14-15,17H,8,10-11H2,1-2H3/t14-,15-,17+/m0/s1
InChIKey LYAXLNOLCGJAML-YQQAZPJKSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xEPE2ET2oL
Name 8-Acetyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester
Alternate Name(s) 8-Acetyl-5-benzyl-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Methyl 8-acetyl-5-benzyl-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate Methyl 8-ethanoyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate
CAS Registry Number 120328-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-12(20)15-8-14-9-16(18(21)22-2)17(15)19(11-14)10-13-6-4-3-5-7-13/h3-7,9,14-15,17H,8,10-11H2,1-2H3/t14-,15-,17+/m0/s1
InChIKey LYAXLNOLCGJAML-YQQAZPJKSA-N
Molecular Weight 299.370 g/mol
SMILES C=1([C@@]2(N(Cc3ccccc3)C[C@](C1)(C[C@]2(C(=O)C)[H])[H])[H])C(=O)OC
SPLASH splash10-002f-9280000000-11d6b0dc163a0a69103c
Source of Spectrum J-54-2900-23
Wiley ID 1302151