| SpectraBase Spectrum ID |
DWivXM7KPQR |
| Name |
1,1,4,4-Tetrakis(3-(trifluoromethyl)phenyl)but-2-yne-1,4-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H18F12O2 |
| InChI |
InChI=1S/C32H18F12O2/c33-29(34,35)23-9-1-5-19(15-23)27(45,20-6-2-10-24(16-20)30(36,37)38)13-14-28(46,21-7-3-11-25(17-21)31(39,40)41)22-8-4-12-26(18-22)32(42,43)44/h1-12,15-18,45-46H |
| InChIKey |
HEFVTGQSPKZBMZ-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN SSQ7000 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/anie.201905670 |
| Molecular Weight |
662.475 g/mol |
| Reported Formula |
C32H18F12O2 |
| SMILES |
OC(C#CC(c1cc(ccc1)C(F)(F)F)(c1cccc(c1)C(F)(F)F)O)(c1cc(ccc1)C(F)(F)F)c1cccc(c1)C(F)(F)F |
| SPLASH |
splash10-00di-0900100000-60a6f57542062dca3cba |
| Source of Spectrum |
ACI-58-SM13-2g |
| Wiley ID |
1875493 |
