SpectraBase Spectrum ID |
IeES9QZjalq |
Name |
(+-)-(1R*,5S*,6R*)-3,6,7-triallyl-2,4,8-trioxo-3,7-diazabicyclo[3.3.1]nonane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
288.147392509 u |
Formula |
C16H20N2O3 |
InChI |
InChI=1S/C16H20N2O3/c1-4-7-13-11-10-12(15(20)17(13)8-5-2)16(21)18(9-6-3)14(11)19/h4-6,11-13H,1-3,7-10H2/t11-,12+,13+/m0/s1 |
InChIKey |
AVOZFAAACGUACI-YNEHKIRRSA-N |
Molecular Weight |
288.347 g/mol |
SMILES |
[C@@]12(C(N(CC=C)C([C@@](C2)([C@@](CC=C)(N(C1=O)CC=C)[H])[H])=O)=O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98386 |