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2,6-bis(Dimethylamino)-3,5-diformylbenzonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

2,6-bis(Dimethylamino)-3,5-diformylbenzonitrile
SpectraBase Compound ID 3m1Tbs58J4b
InChI InChI=1S/C13H15N3O2/c1-15(2)12-9(7-17)5-10(8-18)13(16(3)4)11(12)6-14/h5,7-8H,1-4H3
InChIKey NCLOUEITNYONSX-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CyLvqpxB81V
Name 2,6-bis(Dimethylamino)-3,5-diformylbenzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.116426733 u
Formula C13H15N3O2
InChI InChI=1S/C13H15N3O2/c1-15(2)12-9(7-17)5-10(8-18)13(16(3)4)11(12)6-14/h5,7-8H,1-4H3
InChIKey NCLOUEITNYONSX-UHFFFAOYSA-N
Molecular Weight 245.282 g/mol
SMILES C=1C(=C(C(=C(C1C=O)N(C)C)C#N)N(C)C)C=O
Spectrum/Structure Validation Score (Raman) 0.983125