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5-(Cyano)tricyclo[4.4.0.1(1,4)]decane-10-one
SpectraBase Compound ID FBAxa3okz7o
InChI InChI=1S/C11H13NO/c12-6-9-7-4-5-11(9)8(7)2-1-3-10(11)13/h7-9H,1-5H2/t7-,8+,9-,11-/m0/s1
InChIKey AIIAOUUZJOHAHI-DKIAZLNASA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEH0SOm2QyV
Name 5-(Cyano)tricyclo[4.4.0.1(1,4)]decane-10-one
Alternate Name(s) (1S,7aR)-4-Oxo-octahydro-1,3a-methano-indene-8-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c12-6-9-7-4-5-11(9)8(7)2-1-3-10(11)13/h7-9H,1-5H2/t7-,8+,9-,11-/m0/s1
InChIKey AIIAOUUZJOHAHI-DKIAZLNASA-N
Molecular Weight 175.231 g/mol
SMILES [C@@]123[C@@](C#N)([C@@]([C@]3(CCCC1=O)[H])([H])CC2)[H]
SPLASH splash10-016r-9800000000-5004380f61129e8a7022
Source of Spectrum C-119-8785-25
Wiley ID 760626