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12-Azapentacyclo[6.5.1.1(3,10).0(1,10).0(3,8)]pentadeca-11,13-dione
SpectraBase Compound ID 8zMfAVlM8cA
InChI InChI=1S/C14H17NO2/c16-9-13-5-11-3-1-2-4-12(11,7-13)8-14(13,6-11)10(17)15-9/h1-8H2,(H,15,16,17)/t11?,12?,13-,14+
InChIKey NTBYJJZDYVFXAY-LLZFXZEUSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGCnnnjtPEW
Name 12-Azapentacyclo[6.5.1.1(3,10).0(1,10).0(3,8)]pentadeca-11,13-dione
Appearance White solid
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Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c16-9-13-5-11-3-1-2-4-12(11,7-13)8-14(13,6-11)10(17)15-9/h1-8H2,(H,15,16,17)/t11?,12?,13-,14+
InChIKey NTBYJJZDYVFXAY-LLZFXZEUSA-N
Instrument Name Agilent 5975 GC-122-5532 DB-5MS
Ionization Type EI
Literature Reference DOI 10.1021/jm401340p
Molecular Weight 231.295 g/mol
Reported Formula C14H17NO2
SMILES N1C([C@]23[C@]4(C1=O)CC1(C(C3)(CCCC1)C4)C2)=O
SPLASH splash10-0002-1910000000-5eaeb600dd3b46edeb00
Source of Spectrum AF-56-9272-13d
Wiley ID 1865434