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4-METHOXY-1-METHYL-2(1H)-PYRIDONE-3-CARBONITRILE
SpectraBase Compound ID 8xUbBJhrj7U
InChI InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
InChIKey PETSAYFQSGAEQY-UHFFFAOYSA-N
Mol Weight 164.16 g/mol
Molecular Formula C8H8N2O2
Exact Mass 164.058578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ng6iIemm24
Name Ricinine
CAS Registry Number 524-40-3
Classification Ricine poisoning marker
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 164.058577504 u
Formula C8H8N2O2
InChI InChI=1S/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
InChIKey PETSAYFQSGAEQY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.164 g/mol
Nominal Mass 164 u
Quality 911
Retention Index 1282
SMILES C=1(C(N(C=CC1OC)C)=O)C#N
SPLASH splash10-03di-6900000000-70e54bb78ce9b7848fb5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Pyridinecarbonitrile 1,2-dihydro-4-methoxy-1-methyl-2-oxo- 4-Methoxy-1-methyl-2-oxo-pyridine-3-carbonitrile
Technique GC/MS
Wiley ID DD2024_030976