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1,7-Diphenyl-4-oxahepta-1,6-diyne
SpectraBase Compound ID KZS5z9DeqoY
InChI InChI=1S/C18H14O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,15-16H2
InChIKey LOCRUNVWSADQNZ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C18H14O
Exact Mass 246.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93Gz3gUxpLN
Name 1,7-Diphenyl-4-oxahepta-1,6-diyne
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O
InChI InChI=1S/C18H14O/c1-3-9-17(10-4-1)13-7-15-19-16-8-14-18-11-5-2-6-12-18/h1-6,9-12H,15-16H2
InChIKey LOCRUNVWSADQNZ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 246.309 g/mol
Reported Formula C18H14O
SMILES c1(ccccc1)C#CCOCC#Cc1ccccc1
SPLASH splash10-014i-0190000000-8f906031d2803fb25ca5
Source of Spectrum A1-23-SM20-1a
Thin-Layer Chromatography Rf = 0.40 (hexane/AcOEt, 10:1)
Wiley ID 1868017