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dihydro-2,4,6-trioxo-s-triazine-1,3(2H,4H)-dipropionitrile

View entire compound with spectra: 2 NMR, 1 Raman, and 1 UV-Vis

dihydro-2,4,6-trioxo-s-triazine-1,3(2H,4H)-dipropionitrile
SpectraBase Compound ID FiuBMx8mJSv
InChI InChI=1S/C9H9N5O3/c10-3-1-5-13-7(15)12-8(16)14(9(13)17)6-2-4-11/h1-2,5-6H2,(H,12,15,16)
InChIKey JGKPZBDGULKDQK-UHFFFAOYSA-N
Mol Weight 235.2 g/mol
Molecular Formula C9H9N5O3
Exact Mass 235.070539 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2pvYqXCxuOs
Name Dihydro-2,4,6-trioxo-S-triazine-1,3(2H,4H)-dipropionitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.070539167 u
Formula C9H9N5O3
InChI InChI=1S/C9H9N5O3/c10-3-1-5-13-7(15)12-8(16)14(9(13)17)6-2-4-11/h1-2,5-6H2,(H,12,15,16)
InChIKey JGKPZBDGULKDQK-UHFFFAOYSA-N
Molecular Weight 235.203 g/mol
SMILES N1C(N(C(N(C1=O)CCC#N)=O)CCC#N)=O
Spectrum/Structure Validation Score (Raman) 0.978037