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1-cyclohepta-2,4,6-trienecarbonitrile
SpectraBase Compound ID 8qKFDrldcST
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H/i7+1
InChIKey LADCKIXFXIKHQM-CDYZYAPPSA-N
Mol Weight 118.14 g/mol
Molecular Formula C713CH7N
Exact Mass 118.061204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsYvyo5tCzN
Name 1-cyclohepta-2,4,6-trienecarbonitrile
Alternate Name(s) cyclohepta-2,4,6-triene-1-carbonitrile
Comments Original formula: C7[13C]H7N
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H/i7+1
InChIKey LADCKIXFXIKHQM-CDYZYAPPSA-N
Molecular Weight 118.143 g/mol
SMILES C1([13C]#N)C=CC=CC=C1
SPLASH splash10-014i-9600000000-4a421353c277b8931107
Source of Spectrum O6-0-675-0
Wiley ID 1126169