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1,2,3,4,5-pentadeuterio-6-[1,1,2,2-tetradeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]benzene
SpectraBase Compound ID ALEAkzrXQLO
InChI InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D2,12D2
InChIKey QWUWMCYKGHVNAV-BOAKRTBXSA-N
Mol Weight 196.35 g/mol
Molecular Formula C14D14
Exact Mass 196.197425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YrboKxyvyP
Name 1,2,3,4,5-pentadeuterio-6-[1,1,2,2-tetradeuterio-2-(2,3,4,5,6-pentadeuteriophenyl)ethyl]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.197424893 u
Formula C14D14
InChI InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D2,12D2
InChIKey QWUWMCYKGHVNAV-BOAKRTBXSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609838
Molecular Weight 196.351 g/mol
Quality 566
SMILES C1(=C(C(=C(C(=C1[D])[D])C(C(C1=C(C(=C(C(=C1[D])[D])[D])[D])[D])([D])[D])([D])[D])[D])[D])[D]
SPLASH splash10-0002-9200000000-e2881ef154a7854b80f2
Source of Spectrum ACI-56-SM30-Figure S21 (DOI: 10.1002/anie.201609838)
Wiley ID 1896371