| SpectraBase Spectrum ID |
Bcd3Kf8tm3y |
| Name |
Trans-1,1-dicyano-4-ethyl-6-methyl-2-phenylcyclohex-3-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.146998588 u |
| Formula |
C17H18N2 |
| InChI |
InChI=1S/C17H18N2/c1-3-14-9-13(2)17(11-18,12-19)16(10-14)15-7-5-4-6-8-15/h4-8,10,13,16H,3,9H2,1-2H3/t13-,16+/m1/s1 |
| InChIKey |
GTHZKZWSBROYEK-CJNGLKHVSA-N |
| Molecular Weight |
250.345 g/mol |
| SMILES |
C(#N)C1([C@](C)(CC(CC)=C[C@]1(C1=CC=CC=C1)[H])[H])C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880543 |
