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1-[2-(d5-Phenylethynyl)phenyl]-2-propyn-1-one
SpectraBase Compound ID 64kkizcrlUP
InChI InChI=1S/C17H10O/c1-2-17(18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h1,3-11H/i3D,4D,5D,8D,9D
InChIKey ZCONBNWZZYORGP-YQYLVRRTSA-N
Mol Weight 235.3 g/mol
Molecular Formula C17H52D5O
Exact Mass 235.104549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mXmLZFghwR
Name 1-[2-(d5-Phenylethynyl)phenyl]-2-propyn-1-one
Alternate Name(s) 1-[2-[2-(2,3,4,5,6-pentadeuteriophenyl)ethynyl]phenyl]-2-propyn-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H5D5O
InChI InChI=1S/C17H10O/c1-2-17(18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h1,3-11H/i3D,4D,5D,8D,9D
InChIKey ZCONBNWZZYORGP-YQYLVRRTSA-N
Molecular Weight 235.297 g/mol
SMILES C(#Cc1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])c1c(C(C#C)=O)cccc1
SPLASH splash10-052r-0090000000-e9a72d5f11b4e301df01
Source of Spectrum F-68-1945-1
Wiley ID 1571963