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N-(ethoxycarbonyl)-3-exo-isobutyl-2-azabicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID AADNPhJ4s7B
InChI InChI=1S/C14H23NO2/c1-4-17-14(16)15-12-7-5-11(6-8-12)13(15)9-10(2)3/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKey IIPVVUOYWOBMMW-UHFFFAOYSA-N
Mol Weight 237.34 g/mol
Molecular Formula C14H23NO2
Exact Mass 237.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nmiiUo6G8Y
Name N-(ethoxycarbonyl)-3-exo-isobutyl-2-azabicyclo[2.2.2]oct-5-ene
Alternate Name(s) Ethyl 3-isobutyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate
CAS Registry Number 96151-97-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO2
InChI InChI=1S/C14H23NO2/c1-4-17-14(16)15-12-7-5-11(6-8-12)13(15)9-10(2)3/h5,7,10-13H,4,6,8-9H2,1-3H3
InChIKey IIPVVUOYWOBMMW-UHFFFAOYSA-N
Molecular Weight 237.343 g/mol
SMILES C1(N(C2C=CC1CC2)C(=O)OCC)CC(C)C
SPLASH splash10-0f89-4900000000-f54e01b3a327c7c296f6
Source of Spectrum J-50-1893-3
Wiley ID 1239636