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3-(1-phenylethyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester
SpectraBase Compound ID sf7Py4LLII
InChI InChI=1S/C17H21NO2/c1-3-20-17(19)16-14-9-10-15(11-14)18(16)12(2)13-7-5-4-6-8-13/h4-10,12,14-16H,3,11H2,1-2H3/t12?,14-,15+,16+/m1/s1
InChIKey WPVULUCPUMGINO-ONWBSWNQSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AaXwozXtUT9
Name 3-(1-phenylethyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-3-20-17(19)16-14-9-10-15(11-14)18(16)12(2)13-7-5-4-6-8-13/h4-10,12,14-16H,3,11H2,1-2H3/t12?,14-,15+,16+/m1/s1
InChIKey WPVULUCPUMGINO-ONWBSWNQSA-N
Molecular Weight 271.360 g/mol
SMILES [C@]12(N([C@@]([C@](C=C2)(C1)[H])(C(=O)OCC)[H])C(c1ccccc1)C)[H]
SPLASH splash10-0a4i-6900000000-93b4f612c096465c694e
Source of Spectrum F-48-9717-10
Synonyms Ethyl 2-(1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate Ethyl 3-(1-phenylethyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
Wiley ID 1275461