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(+-)-(1R*,5S*,6R*)-3,6,7-triallyl-2,4,8-trioxo-3,7-diazabicyclo[3.3.1]nonane
SpectraBase Compound ID IBT2jeoBP0v
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
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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