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2-Methylcyclohexanecarbonitrile
SpectraBase Compound ID IGnsv69Mkxv
InChI InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-5H2,1H3
InChIKey BHPVHUWELLQKHU-UHFFFAOYSA-N
Mol Weight 123.2 g/mol
Molecular Formula C8H13N
Exact Mass 123.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DcNKWbIfH7
Name 2-Methylcyclohexanecarbonitrile
Alternate Name(s) 2-methyl-1-cyclohexanecarbonitrile 2-methylcyclohexane-1-carbonitrile
CAS Registry Number 25144-00-7
Comments Less than 3 mono-isotopic peaks
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Formula C8H13N
InChI InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-5H2,1H3
InChIKey BHPVHUWELLQKHU-UHFFFAOYSA-N
Molecular Weight 123.199 g/mol
SMILES C(#N)C1C(C)CCCC1
SPLASH splash10-0a4i-9000000000-4ed867da69a3143183fb
Source of Spectrum J-55-1074-7
Wiley ID 1128514