| SpectraBase Spectrum ID |
3tw2gORzr66 |
| Name |
(1S)-Diisobutylketopinamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.235479240 u |
| Formula |
C18H31NO2 |
| InChI |
InChI=1S/C18H31NO2/c1-12(2)10-19(11-13(3)4)16(21)18-8-7-14(9-15(18)20)17(18,5)6/h12-14H,7-11H2,1-6H3/t14-,18-/m0/s1 |
| InChIKey |
PUIODEXVCJVYAE-KSSFIOAISA-N |
| SMILES |
[C@@]12(C(N(CC(C)C)CC(C)C)=O)C(C[C@@](C2(C)C)(CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858153 |
