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2-((4-((4-ethoxyphenyl)ethynyl)phenyl)ethynyl)-1,3-difluoro-5-propylbenzene
SpectraBase Compound ID 3pZF2QoQDsC
InChI InChI=1S/C27H22F2O/c1-3-5-23-18-26(28)25(27(29)19-23)17-14-21-9-6-20(7-10-21)8-11-22-12-15-24(16-13-22)30-4-2/h6-7,9-10,12-13,15-16,18-19H,3-5H2,1-2H3
InChIKey VPFLHACQCKBYOQ-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C27H22F2O
Exact Mass 400.163872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fhjDSSRBOF
Name 2-((4-((4-ethoxyphenyl)ethynyl)phenyl)ethynyl)-1,3-difluoro-5-propylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22F2O
InChI InChI=1S/C27H22F2O/c1-3-5-23-18-26(28)25(27(29)19-23)17-14-21-9-6-20(7-10-21)8-11-22-12-15-24(16-13-22)30-4-2/h6-7,9-10,12-13,15-16,18-19H,3-5H2,1-2H3
InChIKey VPFLHACQCKBYOQ-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 400.469 g/mol
SMILES C(C)Oc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1c(cc(cc1F)CCC)F
SPLASH splash10-0uk9-0306900000-f15561f5ecc38713846e
Source of Spectrum CN102557896A
Wiley ID 1844780