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Hexanenitrile, 2-[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)methylene]-, (E)-
SpectraBase Compound ID FiULLUJbn4R
InChI InChI=1S/C13H17N3O2/c1-4-5-6-10(8-14)7-11-9-15(2)13(18)16(3)12(11)17/h7,9H,4-6H2,1-3H3/b10-7+
InChIKey UXLBFKGOQREDQF-JXMROGBWSA-N
Mol Weight 247.3 g/mol
Molecular Formula C13H17N3O2
Exact Mass 247.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z65zWEB09S
Name Hexanenitrile, 2-[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)methylene]-, (E)-
CAS Registry Number 74226-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O2
InChI InChI=1S/C13H17N3O2/c1-4-5-6-10(8-14)7-11-9-15(2)13(18)16(3)12(11)17/h7,9H,4-6H2,1-3H3/b10-7+
InChIKey UXLBFKGOQREDQF-JXMROGBWSA-N
Molecular Weight 247.298 g/mol
SMILES C1(N(C(C(=CN1C)\C=C\(C#N)CCCC)=O)C)=O
SPLASH splash10-004i-9230000000-78ac85bf366e5d6ba3a1
Source of Spectrum C-105-969-0
Synonyms (2E)-2-butyl-3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-propenenitrile (E)-2-((1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-methylene)hexanenitrile
Wiley ID 1249983