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Acetamide-2,2,2-D3, N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-
SpectraBase Compound ID 4TjGpObx2Ty
InChI InChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H,16,18)(H,14,15,17)/i2D3
InChIKey PHFJZKMLXDFUNB-BMSJAHLVSA-N
Mol Weight 309.36 g/mol
Molecular Formula C13H112D3N4O3S
Exact Mass 309.097492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87CW1AGmW1n
Name Acetamide-2,2,2-D3, N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulfonyl]phenyl]-
CAS Registry Number 86860-56-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11D3N4O3S
InChI InChI=1S/C13H14N4O3S/c1-9-7-8-14-13(15-9)17-21(19,20)12-5-3-11(4-6-12)16-10(2)18/h3-8H,1-2H3,(H,16,18)(H,14,15,17)/i2D3
InChIKey PHFJZKMLXDFUNB-BMSJAHLVSA-N
Molecular Weight 309.358 g/mol
SMILES N(S(c1ccc(NC(=O)C([2D])([2D])[2D])cc1)(=O)=O)c1nc(C)ccn1
SPLASH splash10-0005-3690000000-cff838e435479f074fb7
Source of Spectrum KO-10-116-1
Synonyms N4-acetylsulfamerazine-D3 N4-trideuteroacetylsulphamerazine
Wiley ID 1307718