| SpectraBase Spectrum ID |
FXLza1A1VJ3 |
| Name |
4-Tert-butyl-5-[4-(cyanomethyl)phenyl]-3,3-dimethyl-2,3-dihydrofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.177964364 u |
| Formula |
C18H23NO |
| InChI |
InChI=1S/C18H23NO/c1-17(2,3)16-15(20-12-18(16,4)5)14-8-6-13(7-9-14)10-11-19/h6-9H,10,12H2,1-5H3 |
| InChIKey |
MDCHVPLQEQJROC-UHFFFAOYSA-N |
| SMILES |
C1OC(=C(C1(C)C)C(C)(C)C)C=1C=CC(=CC1)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842246 |
![4-Tert-butyl-5-[4-(cyanomethyl)phenyl]-3,3-dimethyl-2,3-dihydrofuran](/api/spectrum/FXLza1A1VJ3/structure.png?h=300&w=458 "4-Tert-butyl-5-[4-(cyanomethyl)phenyl]-3,3-dimethyl-2,3-dihydrofuran")
