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3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile
SpectraBase Compound ID 6EftlFy7aDx
InChI InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKey JRUGFHHEKLYFPC-UHFFFAOYSA-N
Mol Weight 210.28 g/mol
Molecular Formula C14H14N2
Exact Mass 210.115698 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4aOwkY1zP8l
Name 3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 210.115698459 u
Formula C14H14N2
InChI InChI=1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKey JRUGFHHEKLYFPC-UHFFFAOYSA-N
Molecular Weight 210.280 g/mol
SMILES C(#N)CCC1CCC(C2=C1C=CC=C2)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866531