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11-Azatriyclo[4.4.2.1(2,5)]trideca-3,7,9-trien-12-one
SpectraBase Compound ID B6XWJsKke1G
InChI InChI=1S/C12H13NO/c14-12-10-3-1-2-4-11(13-12)9-6-5-8(10)7-9/h1-6,8-11H,7H2,(H,13,14)/b3-1-,4-2-/t8-,9-,10-,11+/m0/s1
InChIKey FPTONVBWXZBUQB-XBZOLAMBSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8nnUeHJobf
Name 11-Azatriyclo[4.4.2.1(2,5)]trideca-3,7,9-trien-12-one
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1621445 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c14-12-10-3-1-2-4-11(13-12)9-6-5-8(10)7-9/h1-6,8-11H,7H2,(H,13,14)/b3-1-,4-2-/t8-,9-,10-,11+/m0/s1
InChIKey FPTONVBWXZBUQB-XBZOLAMBSA-N
Molecular Weight 187.242 g/mol
SMILES N1[C@]2([C@]3(C=C[C@]([C@@](C1=O)(\C=C/C=C\2)[H])(C3)[H])[H])[H]
SPLASH splash10-014r-9100000000-21a08df5dde7ce7c0515
Source of Spectrum Y1-44-2642-8
Wiley ID 1821096