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N-(1-acetyl-5-cyano-2-methyl-1,6-dihydro-5-pyrimidinyl)diacetamide
SpectraBase Compound ID Lirsv7Mk2Lp
InChI InChI=1S/C12H14N4O3/c1-7-14-12(16(9(3)18)10(4)19)11(5-13)6-15(7)8(2)17/h6H2,1-4H3
InChIKey DFSVJWGNQOLEMQ-UHFFFAOYSA-N
Mol Weight 262.27 g/mol
Molecular Formula C12H14N4O3
Exact Mass 262.10659 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GzNsDabHpGv
Name N-(1-Acetyl-5-cyano-2-methyl-1,6-dihydro-5-pyrimidinyl)diacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.106590324 u
Formula C12H14N4O3
InChI InChI=1S/C12H14N4O3/c1-7-14-12(16(9(3)18)10(4)19)11(5-13)6-15(7)8(2)17/h6H2,1-4H3
InChIKey DFSVJWGNQOLEMQ-UHFFFAOYSA-N
Molecular Weight 262.269 g/mol
SMILES C=1(N=C(N(CC1C#N)C(C)=O)C)N(C(=O)C)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877264