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7-Azabicyclo[4.1.0]heptane, 2,2,6-trimethyl-7-(4-nitrobenzoyl)-1-(3-oxo-1-butenyl)-, (E)-
SpectraBase Compound ID 2tmdy3bFoji
InChI InChI=1S/C20H24N2O4/c1-14(23)10-13-20-18(2,3)11-5-12-19(20,4)21(20)17(24)15-6-8-16(9-7-15)22(25)26/h6-10,13H,5,11-12H2,1-4H3/b13-10+
InChIKey GLKBWXRFPMGVRJ-JLHYYAGUSA-N
Mol Weight 356.42 g/mol
Molecular Formula C20H24N2O4
Exact Mass 356.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiBQkg8XHhv
Name 7-Azabicyclo[4.1.0]heptane, 2,2,6-trimethyl-7-(4-nitrobenzoyl)-1-(3-oxo-1-butenyl)-, (E)-
CAS Registry Number 84114-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O4
InChI InChI=1S/C20H24N2O4/c1-14(23)10-13-20-18(2,3)11-5-12-19(20,4)21(20)17(24)15-6-8-16(9-7-15)22(25)26/h6-10,13H,5,11-12H2,1-4H3/b13-10+
InChIKey GLKBWXRFPMGVRJ-JLHYYAGUSA-N
Molecular Weight 356.422 g/mol
SMILES C12(N(C1(CCCC2(C)C)C)C(c1ccc(N(=O)=O)cc1)=O)\C=C\C(=O)C
SPLASH splash10-0a4l-4950000000-cb843b1a6b948f7ad768
Source of Spectrum H-65-1623-0
Synonyms (3E)-4-(2,2,6-trimethyl-1,6-(p-nitrobenzoyl)epiminocyclohexyl)-3-buten-2-one (3E)-4-[2,2,6-trimethyl-7-(4-nitrobenzoyl)-7-azabicyclo[4.1.0]hept-1-yl]-3-buten-2-one
Wiley ID 1345839