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2-Oxa-6,8-diazabicyclo[3.2.2]nonane-7,9-dione, 6,8-bis[(4-methoxyphenyl)methyl]-4-(1,2-propadienyl)-, (1.alpha.,4.beta.,5.alpha.)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Oxa-6,8-diazabicyclo[3.2.2]nonane-7,9-dione, 6,8-bis[(4-methoxyphenyl)methyl]-4-(1,2-propadienyl)-, (1.alpha.,4.beta.,5.alpha.)-
SpectraBase Compound ID 6DCx8TuJucc
InChI InChI=1S/C25H26N2O5/c1-4-5-19-16-32-25-24(29)26(14-17-6-10-20(30-2)11-7-17)22(19)23(28)27(25)15-18-8-12-21(31-3)13-9-18/h5-13,19,22,25H,1,14-16H2,2-3H3/t19-,22+,25+/m1/s1
InChIKey HCNLODTYWHQAFC-WPWBMXPQSA-N
Mol Weight 434.49 g/mol
Molecular Formula C25H26N2O5
Exact Mass 434.184172 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5gm1mX2T1LS
Name 2-oxa-6,8-Diazabicyclo[3.2.2]nonane-7,9-dione, 6,8-bis[(4-methoxyphenyl)methyl]-4-(1,2-propadienyl)-, (1.alpha.,4.beta.,5.alpha.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.184171940 u
Formula C25H26N2O5
InChI InChI=1S/C25H26N2O5/c1-4-5-19-16-32-25-24(29)26(14-17-6-10-20(30-2)11-7-17)22(19)23(28)27(25)15-18-8-12-21(31-3)13-9-18/h5-13,19,22,25H,1,14-16H2,2-3H3/t19-,22+,25+/m1/s1
InChIKey HCNLODTYWHQAFC-WPWBMXPQSA-N
Molecular Weight 434.492 g/mol
SMILES C1(N([C@]2(OC[C@]([C@@]1(N(C2=O)CC=1C=CC(=CC1)OC)[H])(C=C=C)[H])[H])CC1=CC=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837283