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2,4,6-Trinitro-.alpha., .alpha., .alpha.-trideuterotoluene
SpectraBase Compound ID GXTYVNHOxA
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3/i1D3
InChIKey SPSSULHKWOKEEL-FIBGUPNXSA-N
Mol Weight 230.15 g/mol
Molecular Formula C7H2D3N3O6
Exact Mass 230.036665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NhycDKTJDh
Name 2,4,6-Trinitro-.alpha., .alpha., .alpha.-trideuterotoluene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2D3N3O6
InChI InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3/i1D3
InChIKey SPSSULHKWOKEEL-FIBGUPNXSA-N
Molecular Weight 230.150 g/mol
SMILES c1([N+]([O-])=O)c(c([N+]([O-])=O)cc([N+]([O-])=O)c1)C([D])([D])[D]
SPLASH splash10-03di-7590000000-b1558167ad6a9ccff292
Source of Spectrum O-26-868-3
Wiley ID 1228328