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(E)-Methyl Trideuteriomethyl (.alpha.-Bromo-p-nitrobenzylidene)malonate
SpectraBase Compound ID 5HFulnoaRVe
InChI InChI=1S/C12H10BrNO6/c1-19-11(15)9(12(16)20-2)10(13)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3/i1D3/b10-9-
InChIKey KSWAHIZVGZHEIT-GNOIAUETSA-N
Mol Weight 347.14 g/mol
Molecular Formula C12H72D3BrNO6
Exact Mass 345.98798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1byxTZrVUyq
Name (E)-Methyl Trideuteriomethyl (.alpha.-Bromo-p-nitrobenzylidene)malonate
CAS Registry Number 110242-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7D3BrNO6
InChI InChI=1S/C12H10BrNO6/c1-19-11(15)9(12(16)20-2)10(13)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3/i1D3/b10-9-
InChIKey KSWAHIZVGZHEIT-GNOIAUETSA-N
Molecular Weight 347.135 g/mol
SMILES C(\C(C(=O)OC)=C/(c1ccc(cc1)N(=O)=O)Br)(=O)OC([2D])([2D])[2D]
SPLASH splash10-014i-0798000000-a12a3f3b6d3d90c49ca1
Source of Spectrum C-109-6707-5
Wiley ID 1337108