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12-Chloro-1,7-bis(4-methoxyphenyl)-1,7-diazadodeca-2,8-dione

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

12-Chloro-1,7-bis(4-methoxyphenyl)-1,7-diazadodeca-2,8-dione
SpectraBase Compound ID HBsBoK5Q0Tm
InChI InChI=1S/C24H31ClN2O4/c1-30-21-13-9-19(10-14-21)26-23(28)7-4-6-18-27(24(29)8-3-5-17-25)20-11-15-22(31-2)16-12-20/h9-16H,3-8,17-18H2,1-2H3,(H,26,28)
InChIKey IYMQBXFCMPJMGL-UHFFFAOYSA-N
Mol Weight 446.98 g/mol
Molecular Formula C24H31ClN2O4
Exact Mass 446.197235 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3mBDgccaIqL
Name 12-Chloro-1,7-bis(4-methoxyphenyl)-1,7-diazadodeca-2,8-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.197235182 u
Formula C24H31ClN2O4
InChI InChI=1S/C24H31ClN2O4/c1-30-21-13-9-19(10-14-21)26-23(28)7-4-6-18-27(24(29)8-3-5-17-25)20-11-15-22(31-2)16-12-20/h9-16H,3-8,17-18H2,1-2H3,(H,26,28)
InChIKey IYMQBXFCMPJMGL-UHFFFAOYSA-N
Molecular Weight 446.975 g/mol
SMILES C(N(C=1C=CC(=CC1)OC)CCCCC(NC=1C=CC(=CC1)OC)=O)(=O)CCCCCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913163