For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(2-fluoro-6-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
SpectraBase Compound ID Bqgmvzo91ZG
InChI InChI=1S/C22H19FO3/c1-16(24)26-22(2,3)15-14-20-18(6-5-7-21(20)23)11-8-17-9-12-19(25-4)13-10-17/h5-7,9-10,12-13H,1-4H3
InChIKey KCWDWOYRFQKDAH-UHFFFAOYSA-N
Mol Weight 350.39 g/mol
Molecular Formula C22H19FO3
Exact Mass 350.131823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DWBWxWOrlDV
Name 4-(2-fluoro-6-((4-methoxyphenyl)ethynyl)phenyl)-2-methylbut-3-yn-2-yl acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.131822632 u
Formula C22H19FO3
InChI InChI=1S/C22H19FO3/c1-16(24)26-22(2,3)15-14-20-18(6-5-7-21(20)23)11-8-17-9-12-19(25-4)13-10-17/h5-7,9-10,12-13H,1-4H3
InChIKey KCWDWOYRFQKDAH-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Molecular Weight 350.389 g/mol
Reported Formula C22H19O3F
SMILES C1(=C(C(=CC=C1)C#CC1=CC=C(C=C1)OC)C#CC(OC(C)=O)(C)C)F
SPLASH splash10-0006-0090000000-b059b3124358a795352c
Source of Spectrum QE-21-SM54-1v (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.43 (PE/EA, 5:1)
Wiley ID 1907077