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2,4-Di(phenyl-D5)pentan-3-one
SpectraBase Compound ID 5T7sshlaIsi
InChI InChI=1S/C17H18O/c1-13(15-9-5-3-6-10-15)17(18)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKey OWDHNYUHCPSQFR-HZKWNVQXSA-N
Mol Weight 248.39 g/mol
Molecular Formula C17H82D10O
Exact Mass 248.198533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BknwYmWlZrI
Name 2,4-Di(phenyl-D5)pentan-3-one
Alternate Name(s) 2,4-bis(2,3,4,5,6-pentadeuteriophenyl)-3-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H8D10O
InChI InChI=1S/C17H18O/c1-13(15-9-5-3-6-10-15)17(18)14(2)16-11-7-4-8-12-16/h3-14H,1-2H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKey OWDHNYUHCPSQFR-HZKWNVQXSA-N
Molecular Weight 248.391 g/mol
SMILES C(C(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])C)(C(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])C)=O
SPLASH splash10-03di-0900000000-4be4d052ce3a744f4181
Source of Spectrum J-67-2618-2
Wiley ID 1569523