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1,3-Propanedione, 1-phenyl-3-(phenyl-D5)-
SpectraBase Compound ID IByn7ecSvks
InChI InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2/i1D,3D,4D,7D,8D
InChIKey NZZIMKJIVMHWJC-DYVTXVBDSA-N
Mol Weight 229.29 g/mol
Molecular Formula C15H72D5O2
Exact Mass 229.115113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DutelEXstdW
Name 1,3-Propanedione, 1-phenyl-3-(phenyl-D5)-
Alternate Name(s) 2-([(2)H(5)]benzoyl)acetophenone
CAS Registry Number 119476-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7D5O2
InChI InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2/i1D,3D,4D,7D,8D
InChIKey NZZIMKJIVMHWJC-DYVTXVBDSA-N
Molecular Weight 229.290 g/mol
SMILES C(C(=O)c1ccccc1)C(=O)c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D]
SPLASH splash10-004i-0950000000-509c3bffb53f9ffff219
Source of Spectrum KC-1988-2216-0
Wiley ID 1225838