| SpectraBase Spectrum ID |
54MxDUlL7xQ |
| Name |
2,6-bis(1,1-Dimethylethyl)-4-cyanomethylenecyclohexa-2,5-diene-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.162314299 u |
| Formula |
C16H21NO |
| InChI |
InChI=1S/C16H21NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h7,9-10H,1-6H3 |
| InChIKey |
VWJMHEHVAHYPDI-UHFFFAOYSA-N |
| Molecular Weight |
243.350 g/mol |
| SMILES |
C1(C(=CC(C=C1C(C)(C)C)=CC#N)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814715 |
