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1-Butanone-4-d, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, (S)-
SpectraBase Compound ID CffPZACNfHl
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/i7D/t7-/m0/s1
InChIKey FLAQQSHRLBFIEZ-ZDINEHCASA-N
Mol Weight 208.24 g/mol
Molecular Formula C10H122DN3O2
Exact Mass 208.107053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoNfplfnzhq
Name 1-Butanone-4-d, 4-(methylnitrosoamino)-1-(3-pyridinyl)-, (S)-
CAS Registry Number 128991-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12DN3O2
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/i7D/t7-/m0/s1
InChIKey FLAQQSHRLBFIEZ-ZDINEHCASA-N
Molecular Weight 208.239 g/mol
SMILES [C@](N(N=O)C)(CCC(c1cnccc1)=O)([2D])[H]
SPLASH splash10-056r-3900000000-d1a8d5f6ae1a07282721
Source of Spectrum F-46-1742-1
Synonyms (4S)-[4-(2)-h(1)]-4-(methylnitrosamino)-1-(3'-pyridyl)-1-butanone
Wiley ID 1205620