| SpectraBase Spectrum ID |
GzXMzh7YRNi |
| Name |
1-(4'-Acetamidophenyl)-3,3-dimethyl-1-(4''-phenylcyclohex-1''-enyl)-1-butene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.240564621 u |
| Formula |
C26H31NO |
| InChI |
InChI=1S/C26H31NO/c1-19(28)27-24-16-14-23(15-17-24)25(18-26(2,3)4)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-9,12,14-18,21H,10-11,13H2,1-4H3,(H,27,28)/b25-18+ |
| InChIKey |
PXIHPDKBGPDPBV-XIEYBQDHSA-N |
| Molecular Weight |
373.540 g/mol |
| SMILES |
C1(\C(=C/C(C)(C)C)C2=CC=C(NC(=O)C)C=C2)=CCC(CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827918 |
