| SpectraBase Spectrum ID |
KUTGhDFtjE3 |
| Name |
N-((3as,4S,7S,7as)-5,7-Diheptyl-2-methyl-1,3-dioxo-2,3,3A,4,7,7A-hexahydro-1H-isoindol-4-yl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.319543217 u |
| Formula |
C25H42N2O3 |
| InChI |
InChI=1S/C25H42N2O3/c1-5-7-9-11-13-15-19-17-20(16-14-12-10-8-6-2)23(26-18(3)28)22-21(19)24(29)27(4)25(22)30/h17,19,21-23H,5-16H2,1-4H3,(H,26,28)/t19-,21-,22-,23+/m0/s1 |
| InChIKey |
OAIGGESLLAJOPO-XXTHSBEZSA-N |
| Molecular Weight |
418.622 g/mol |
| SMILES |
C(N[C@]1([C@]2(C(N(C)C([C@]2([C@@](CCCCCCC)(C=C1CCCCCCC)[H])[H])=O)=O)[H])[H])(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883643 |
