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1,4-Ethanonaphthalene-2-carbonitrile, 1,4-dihydro-3-methyl-
SpectraBase Compound ID 9Y69quRdNEo
InChI InChI=1S/C14H13N/c1-9-10-6-7-13(14(9)8-15)12-5-3-2-4-11(10)12/h2-5,10,13H,6-7H2,1H3
InChIKey XEOOAGDFUCFIFD-UHFFFAOYSA-N
Mol Weight 195.26 g/mol
Molecular Formula C14H13N
Exact Mass 195.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaypxAlEgHz
Name 1,4-Ethanonaphthalene-2-carbonitrile, 1,4-dihydro-3-methyl-
Alternate Name(s) 10-methyltricyclo[6.2.2.0(2,7)]dodeca-2,4,6,9-tetraene-9-carbonitrile 2-Cyano-3-methyl-5,6-benzobicyc[2.2.2]octa-2,5-diene
CAS Registry Number 117461-16-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N
InChI InChI=1S/C14H13N/c1-9-10-6-7-13(14(9)8-15)12-5-3-2-4-11(10)12/h2-5,10,13H,6-7H2,1H3
InChIKey XEOOAGDFUCFIFD-UHFFFAOYSA-N
Molecular Weight 195.265 g/mol
SMILES C1(=C(C2CCC1c1c2cccc1)C)C#N
SPLASH splash10-00kb-0900000000-e0abbe6338eca283a04d
Source of Spectrum F-44-76-4
Wiley ID 1192338