| SpectraBase Spectrum ID |
CkZFGBxSr5U |
| Name |
2-(2-Benzyl)ethyl-2,3,3a,4,5,6,7,7a-Octahydro-1-oxo-3-(p-tolyl)-1H-isoindole |
| Comments |
Note: The molecular formula of the structure shown is C24H29NO - which differs from the formula reported for the mass spectrum (C23H27NO) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27NO |
| InChI |
InChI=1S/C24H29NO/c1-18-13-15-20(16-14-18)23-21-11-5-6-12-22(21)24(26)25(23)17-7-10-19-8-3-2-4-9-19/h2-4,8-9,13-16,21-23H,5-7,10-12,17H2,1H3 |
| InChIKey |
YKXDOPWPNYZYKV-UHFFFAOYSA-N |
| Molecular Weight |
347.502 g/mol |
| SMILES |
C1(N(C(C2CCCCC12)c1ccc(cc1)C)CCCc1ccccc1)=O |
| SPLASH |
splash10-0006-9040000000-86e575a5cadb9e95aa30 |
| Source of Spectrum |
H1-36-1821-4 |
| Wiley ID |
755256 |
