| SpectraBase Spectrum ID |
LQqR3Itc8PW |
| Name |
1-(1-Cyclohexyl-3,3,3-trifluoroprop-1-en-2-yl)-4-(phenylethynyl)benzene |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.159535165 u |
| Formula |
C23H21F3 |
| GC Column |
HP-5 MS (30 m x 250 micrometer, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C23H21F3/c24-23(25,26)22(17-20-9-5-2-6-10-20)21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1,3-4,7-8,13-17,20H,2,5-6,9-10H2 |
| InChIKey |
BXERAYRAOAHXPA-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890B GC-5977B MSD |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/adsc.202300491 |
| Molecular Weight |
354.416 g/mol |
| Quality |
310 |
| Reported Formula |
C23H21F3 |
| SMILES |
C(=CC1CCCCC1)(C1=CC=C(C=C1)C#CC1=CC=CC=C1)C(F)(F)F |
| SPLASH |
splash10-0fk9-0093000000-6cee3384a670e4e82e23 |
| Sample Comments |
E/Z = 3:1 |
| Source of Spectrum |
ASC-365-SM21-2g (DOI: 10.1002/adsc.202300491) |
| Wiley ID |
1909682 |
