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2,7-Octanedione-1,1,1,3,3,6,6,8,8,8-D10
SpectraBase Compound ID Ax6rkAw9hs6
InChI InChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(2)10/h3-6H2,1-2H3/i1D3,2D3,5D2,6D2
InChIKey NZGDDIUIXYFYFO-JKSUIMTKSA-N
Mol Weight 152.26 g/mol
Molecular Formula C8H4D10O2
Exact Mass 152.162147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3R3s3H6Ebh7
Name 2,7-Octanedione-1,1,1,3,3,6,6,8,8,8-D10
Alternate Name(s) Octane-2,7-dione-1,1,1,3,3,6,6,8,8,8-D10
CAS Registry Number 54004-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4D10O2
InChI InChI=1S/C8H14O2/c1-7(9)5-3-4-6-8(2)10/h3-6H2,1-2H3/i1D3,2D3,5D2,6D2
InChIKey NZGDDIUIXYFYFO-JKSUIMTKSA-N
Molecular Weight 152.259 g/mol
SMILES C(=O)(C(CCC(C(=O)C([D])([D])[D])([D])[D])([D])[D])C([D])([D])[D]
SPLASH splash10-0002-9000000000-54405259dce711519de4
Source of Spectrum O-3-727-11
Wiley ID 8245