2-Oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione, 7,9-bis(phenylmethyl)-, cis-(.+-.)-

SpectraBase Compound ID	6jtldOFsbFZ
InChI	InChI=1S/C21H22N2O3/c24-19-18-12-7-13-26-21(23(19)15-17-10-5-2-6-11-17)20(25)22(18)14-16-8-3-1-4-9-16/h1-6,8-11,18,21H,7,12-15H2/t18-,21-/m0/s1
InChIKey	XFJIIXXCFWUPKK-RXVVDRJESA-N Google Search
Mol Weight	350.42 g/mol
Molecular Formula	C21H22N2O3
Exact Mass	350.163043 g/mol

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SpectraBase Spectrum ID	3IThEcLIcy1
Name	2-oxa-7,9-Diazabicyclo[4.2.2]decane-8,10-dione, 7,9-bis(phenylmethyl)-, cis-(.+-.)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	350.163042573 u
Formula	C21H22N2O3
InChI	InChI=1S/C21H22N2O3/c24-19-18-12-7-13-26-21(23(19)15-17-10-5-2-6-11-17)20(25)22(18)14-16-8-3-1-4-9-16/h1-6,8-11,18,21H,7,12-15H2/t18-,21-/m0/s1
InChIKey	XFJIIXXCFWUPKK-RXVVDRJESA-N
Molecular Weight	350.418 g/mol
SMILES	C1(N([C@]2(OCCC[C@@]1(N(C2=O)CC=1C=CC=CC1)[H])[H])CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.960086