| SpectraBase Spectrum ID |
BmpRvtz47XB |
| Name |
1,7-Bis(4-trifluoromethphenyl)-4-oxahepta-1,6-diyne |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H12F6O |
| InChI |
InChI=1S/C20H12F6O/c21-19(22,23)17-9-5-15(6-10-17)3-1-13-27-14-2-4-16-7-11-18(12-8-16)20(24,25)26/h5-12H,13-14H2 |
| InChIKey |
PGZSKUHYMVRXTP-UHFFFAOYSA-N |
| Instrument Name |
JEOL JMS-700 Mstation |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01631 |
| Molecular Weight |
382.305 g/mol |
| Reported Formula |
C20H12F6O |
| SMILES |
c1(ccc(cc1)C(F)(F)F)C#CCOCC#Cc1ccc(cc1)C(F)(F)F |
| SPLASH |
splash10-001i-0900000000-9bc5570f7c0cde203aba |
| Source of Spectrum |
A1-23-SM21-1g |
| Thin-Layer Chromatography |
Rf = 0.49 (hexane/AcOEt, 10:1) |
| Wiley ID |
1868022 |
