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2-Benzoyl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene

View entire compound with spectra: 1 MS (GC)

2-Benzoyl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene
SpectraBase Compound ID 3zloCyRgKb
InChI InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-15-10-7-11-16(17(21)13-12-15)18(22)14-8-5-4-6-9-14/h4-6,8-9,11,15,17H,7,10,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKey IYQIDNLIJHGQPP-RDJZCZTQSA-N
Mol Weight 327.42 g/mol
Molecular Formula C20H25NO3
Exact Mass 327.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkLqe7WQelL
Name 2-Benzoyl-9-(tert-butoxycarbonyl)-9-azabicyclo[4.2.1]non-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO3
InChI InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-15-10-7-11-16(17(21)13-12-15)18(22)14-8-5-4-6-9-14/h4-6,8-9,11,15,17H,7,10,12-13H2,1-3H3/t15-,17-/m0/s1
InChIKey IYQIDNLIJHGQPP-RDJZCZTQSA-N
Molecular Weight 327.424 g/mol
SMILES C(N1[C@@]2(C(C(=O)c3ccccc3)=CCC[C@]1(CC2)[H])[H])(OC(C)(C)C)=O
SPLASH splash10-004i-0092000000-69ec1fa69dbd2a660d46
Source of Spectrum F-56-314-16
Synonyms tert-Butyl 2-benzoyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
Wiley ID 855377