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1,7-Bis(4-methoxyphenyl)-4-oxahepta-1,6-diyne
SpectraBase Compound ID 2Coe9IIPihZ
InChI InChI=1S/C20H18O3/c1-21-19-11-7-17(8-12-19)5-3-15-23-16-4-6-18-9-13-20(22-2)14-10-18/h7-14H,15-16H2,1-2H3
InChIKey HPPWATLIQOGKAZ-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C20H18O3
Exact Mass 306.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBhDs0BQYCh
Name 1,7-Bis(4-methoxyphenyl)-4-oxahepta-1,6-diyne
Appearance Yellow oil
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Formula C20H18O3
InChI InChI=1S/C20H18O3/c1-21-19-11-7-17(8-12-19)5-3-15-23-16-4-6-18-9-13-20(22-2)14-10-18/h7-14H,15-16H2,1-2H3
InChIKey HPPWATLIQOGKAZ-UHFFFAOYSA-N
Instrument Name JEOL JMS-700 Mstation
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01631
Molecular Weight 306.361 g/mol
Reported Formula C21H18O4
SMILES c1(ccc(cc1)OC)C#CCOCC#Cc1ccc(cc1)OC
SPLASH splash10-056s-0494000000-3b1170ecfff65823dce2
Source of Spectrum A1-23-SM22-1i
Thin-Layer Chromatography Rf = 0.31 (hexane/AcOEt, 5:1)
Wiley ID 1868024