SpectraBase Spectrum ID |
4aOwkY1zP8l |
Name |
3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |