| SpectraBase Spectrum ID |
JXFOAtSlsJp |
| Name |
N-Benzyl-N-(2'-iodobenzoyl)-3,3,5,5-tetramethyl-1-aminocyclohexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.121559525 u |
| Formula |
C24H28INO |
| InChI |
InChI=1S/C24H28INO/c1-23(2)14-19(15-24(3,4)17-23)26(16-18-10-6-5-7-11-18)22(27)20-12-8-9-13-21(20)25/h5-14H,15-17H2,1-4H3 |
| InChIKey |
PQTLICCNTHWRGY-UHFFFAOYSA-N |
| Molecular Weight |
473.398 g/mol |
| SMILES |
C(N(C1=CC(C)(C)CC(C1)(C)C)CC=1C=CC=CC1)(C=1C(I)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820248 |
