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4-Oxatricyclo[4.3.1.1(3,8)]undecane-1-carbonitrile, 3-fluoro-
SpectraBase Compound ID JPIAcG583KP
InChI InChI=1S/C11H14FNO/c12-11-4-8-1-9(5-14-11)3-10(2-8,6-11)7-13/h8-9H,1-6H2/t8-,9+,10+,11-/m1/s1
InChIKey NMLSGXIWSNAWHG-VPOLOUISSA-N
Mol Weight 195.24 g/mol
Molecular Formula C11H14FNO
Exact Mass 195.105942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GizmodLu62T
Name 4-Oxatricyclo[4.3.1.1(3,8)]undecane-1-carbonitrile, 3-fluoro-
Alternate Name(s) 1-Fluoro-2-oxa-5-cyanoadamantane 3-Fluoro-4-oxatricyclo[4.3.1.1(3,8)]undecane-1-carbonitrile
CAS Registry Number 91120-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14FNO
InChI InChI=1S/C11H14FNO/c12-11-4-8-1-9(5-14-11)3-10(2-8,6-11)7-13/h8-9H,1-6H2/t8-,9+,10+,11-/m1/s1
InChIKey NMLSGXIWSNAWHG-VPOLOUISSA-N
Molecular Weight 195.237 g/mol
SMILES [C@@]12(OC[C@]3(C[C@@](C2)(C[C@](C1)(C#N)C3)[H])[H])F
SPLASH splash10-0a6r-0900000000-684d455dc4fce7a377a7
Source of Spectrum K-117-1985-0
Wiley ID 1192049