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LADCKIXFXIKHQM-UHFFFAOYSA-N
SpectraBase Compound ID KOI8kwFezLD
InChI InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlOjIRimk6J
Name 2,4,6-Cycloheptatriene-1-carbonitrile
CAS Registry Number 13612-59-4
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
InChIKey LADCKIXFXIKHQM-UHFFFAOYSA-N
Molecular Weight 117.151 g/mol
SMILES C1=CC=CC(C=C1)C#N
SPLASH splash10-014i-2900000000-06a86b7f903a3ecf5084
Source of Spectrum E1-41-2189-5
Synonyms 1,3,5-Cycloheptatriene-7-carbonitrile 1-Cyano-2,4,6-cycloheptatriene 1-cyclohepta-2,4,6-trienecarbonitrile 2,4,6-Cycloheptatrienecarbonitrile 7-Cyano-1,3,5-cycloheptatriene 7-Cyanocycloheptatriene 7-cyanotropilidene cyclohepta-2,4,6-triene-1-carbonitrile
Wiley ID 1552317