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1,6-Diphenylhex-5-yn-1-D-1-ol
SpectraBase Compound ID 3TvKd8M8sQY
InChI InChI=1S/C18H18O/c19-18(17-13-7-3-8-14-17)15-9-2-6-12-16-10-4-1-5-11-16/h1,3-5,7-8,10-11,13-14,18-19H,2,9,15H2/i18D
InChIKey IJFOGLKGVQUWFU-VAAKKRCDSA-N
Mol Weight 251.35 g/mol
Molecular Formula C18H17DO
Exact Mass 251.142042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DeuR9ebm6Cc
Name 1,6-Diphenylhex-5-yn-1-D-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.142041944 u
Formula C18H17DO
InChI InChI=1S/C18H18O/c19-18(17-13-7-3-8-14-17)15-9-2-6-12-16-10-4-1-5-11-16/h1,3-5,7-8,10-11,13-14,18-19H,2,9,15H2/i18D
InChIKey IJFOGLKGVQUWFU-VAAKKRCDSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705964
Molecular Weight 251.347 g/mol
Quality 150
Reported Formula C18H17DO
SMILES OC(CCCC#CC1=CC=CC=C1)(C1=CC=CC=C1)[D]
SPLASH splash10-001i-0900000000-0969fbeb7d10c18107b8
Source of Spectrum ACI-56-SM13-1a-D (DOI: 10.1002/anie.201705964)
Wiley ID 1896412