| SpectraBase Spectrum ID |
2VpaMZACB8C |
| Name |
Trans-1,1-dicyano-6-tert-butyl-4-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 |
278.178298716 u |
| Formula |
C19H22N2 |
| InChI |
InChI=1S/C19H22N2/c1-14-10-16(15-8-6-5-7-9-15)19(12-20,13-21)17(11-14)18(2,3)4/h5-10,16-17H,11H2,1-4H3/t16-,17-/m0/s1 |
| InChIKey |
JUJKOBRJUSQKPD-IRXDYDNUSA-N |
| Molecular Weight |
278.399 g/mol |
| SMILES |
C1([C@@](C=C(C[C@]1(C(C)(C)C)[H])C)(C1=CC=CC=C1)[H])(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815992 |
