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(hexadeuterio)acetic anhydride derivative of paracetamol
SpectraBase Compound ID 4sID1nxqbAc
InChI InChI=1S/C12H13NO4/c1-8(14)13(9(2)15)11-4-6-12(7-5-11)17-10(3)16/h4-7H,1-3H3/i1D3,3D3
InChIKey VCDLALPZLGLNHP-WTJPRRJNSA-N
Mol Weight 241.28 g/mol
Molecular Formula C12H72D6NO4
Exact Mass 241.122118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zg4JHPF0AV
Name (hexadeuterio)acetic anhydride derivative of paracetamol
Alternate Name(s) 1-(trideuterio)acetoxy-4-[N-(trideuterio)acetyl-N-acetylamino)benzene
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Formula C12H7D6NO4
InChI InChI=1S/C12H13NO4/c1-8(14)13(9(2)15)11-4-6-12(7-5-11)17-10(3)16/h4-7H,1-3H3/i1D3,3D3
InChIKey VCDLALPZLGLNHP-WTJPRRJNSA-N
Molecular Weight 241.276 g/mol
SMILES C(N(C(=O)C([2D])([2D])[2D])c1ccc(OC(=O)C([2D])([2D])[2D])cc1)(=O)C
SPLASH splash10-08fr-0900000000-2c170a79afa7eeef4384
Source of Spectrum KO-16-186-7
Wiley ID 1237029