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1-Butanone-4,4-D2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
SpectraBase Compound ID IhK5z2GJuO7
InChI InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i7D2
InChIKey FLAQQSHRLBFIEZ-RJSZUWSASA-N
Mol Weight 209.25 g/mol
Molecular Formula C10H112D2N3O2
Exact Mass 209.11333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8DhFG7ISUhq
Name 1-Butanone-4,4-D2, 4-(methylnitrosoamino)-1-(3-pyridinyl)-
CAS Registry Number 86270-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11D2N3O2
InChI InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3/i7D2
InChIKey FLAQQSHRLBFIEZ-RJSZUWSASA-N
Molecular Weight 209.245 g/mol
SMILES C(N(N=O)C)(CCC(c1cnccc1)=O)([2D])[2D]
SPLASH splash10-056r-2900000000-ab5cb9e6cabdf31eec45
Source of Spectrum F-46-1743-1
Synonyms 4,4-Dideutero-4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone-4,4-D2 N-(1,1-dideuterio-4-oxidanylidene-4-pyridin-3-yl-butyl)-N-methyl-nitrous amide N-(1,1-dideuterio-4-oxo-4-pyridin-3-ylbutyl)-N-methylnitrous amide N-[1,1-dideuterio-4-keto-4-(3-pyridyl)butyl]-N-methyl-nitrous amide N-[1,1-dideuterio-4-oxo-4-(3-pyridinyl)butyl]-N-methylnitrous amide N-[1,1-dideuterio-4-oxo-4-(3-pyridyl)butyl]-N-methyl-nitrous amide
Wiley ID 1205621