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1,3-D5-hexan-2-one 2,4-dinitrophenylhydrazone
SpectraBase Compound ID EsP8Rsatyck
InChI InChI=1S/C12H16N4O4/c1-3-4-5-9(2)13-14-11-7-6-10(15(17)18)8-12(11)16(19)20/h6-8,14H,3-5H2,1-2H3/b13-9-/i2D3,5D2
InChIKey ZQAHBVPRAUEYPQ-FHIUEGMFSA-N
Mol Weight 285.31 g/mol
Molecular Formula C12H112D5N4O4
Exact Mass 285.148539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31LdVYJnGv5
Name 1,3-D5-hexan-2-one 2,4-dinitrophenylhydrazone
CAS Registry Number 54965-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11D5N4O4
InChI InChI=1S/C12H16N4O4/c1-3-4-5-9(2)13-14-11-7-6-10(15(17)18)8-12(11)16(19)20/h6-8,14H,3-5H2,1-2H3/b13-9-/i2D3,5D2
InChIKey ZQAHBVPRAUEYPQ-FHIUEGMFSA-N
Molecular Weight 285.315 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)\N=C/(C(CCC)([2D])[2D])C([2D])([2D])[2D]
SPLASH splash10-0005-9300000000-91872f1421af6df745a5
Source of Spectrum EP-2148-0-0
Wiley ID 1283474