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3,3-Dimethyl-2-(4-nitrobenzoyloxy)-2-azabicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID BLqS34G0aWg
InChI InChI=1S/C16H18N2O4/c1-16(2)12-5-9-13(10-6-12)17(16)22-15(19)11-3-7-14(8-4-11)18(20)21/h3-5,7-9,12-13H,6,10H2,1-2H3
InChIKey YPWQYZXMBBGBEJ-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GQIFNA71CO
Name 3,3-Dimethyl-2-(4-nitrobenzoyloxy)-2-azabicyclo[2.2.2]oct-5-ene
CAS Registry Number 105731-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-16(2)12-5-9-13(10-6-12)17(16)22-15(19)11-3-7-14(8-4-11)18(20)21/h3-5,7-9,12-13H,6,10H2,1-2H3
InChIKey YPWQYZXMBBGBEJ-UHFFFAOYSA-N
Molecular Weight 302.330 g/mol
SMILES C1(N(C2C=CC1CC2)OC(c1ccc(N(=O)=O)cc1)=O)(C)C
SPLASH splash10-0zpi-9771000000-5086fcb33c7a8d7c1520
Source of Spectrum K-120-1775-7
Wiley ID 1304562