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2-acetyl-9-azabicycle[4.2.1]non-2-ene

View entire compound with spectra: 1 MS (GC)

2-acetyl-9-azabicycle[4.2.1]non-2-ene
SpectraBase Compound ID 9jQnQoToNo9
InChI InChI=1S/C17H27NO3/c1-3-4-5-6-12-21-17(20)18-14-8-7-9-15(13(2)19)16(18)11-10-14/h9,14,16H,3-8,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKey AJFJTXJJPCDCHK-HOCLYGCPSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6DSYjGU4
Name 2-acetyl-9-azabicycle[4.2.1]non-2-ene
Carrier Gas Helium (0.6 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.199093730 u
Formula C17H27NO3
GC Column HP 5MS (30 m x 0.25 mm)
GC Oven Program Oven temp 270oC
InChI InChI=1S/C17H27NO3/c1-3-4-5-6-12-21-17(20)18-14-8-7-9-15(13(2)19)16(18)11-10-14/h9,14,16H,3-8,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKey AJFJTXJJPCDCHK-HOCLYGCPSA-N
Instrument Name Gas Chromatograph model 6890-MSD 5972
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200500488
Quality 825
SMILES CCCCCCOC(=O)N1[C@]2(CCC=C([C@@]1(CC2)[H])C(=O)C)[H]
SPLASH splash10-00kf-3910000000-7352a1895bf6314e9e74
Source of Spectrum SEP-29-2088-Figure 2B (DOI: 10.1002/jssc.200500488)
Wiley ID 1909595