| SpectraBase Spectrum ID |
8A8xZUWP76e |
| Name |
1-Chloro-4-(1-cyclohexyl-3,3,3-trifluoroprop-1-en-2-yl)-2-methoxybenzene |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.099827388 u |
| Formula |
C16H18ClF3O |
| GC Column |
HP-5 MS (30 m x 250 micrometer, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C16H18ClF3O/c1-21-15-10-12(7-8-14(15)17)13(16(18,19)20)9-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3 |
| InChIKey |
CBWYRCCYDAFNRA-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890B GC-5977B MSD |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/adsc.202300491 |
| Molecular Weight |
318.767 g/mol |
| Quality |
339 |
| Reported Formula |
C16H18ClF3O |
| SMILES |
C(=CC1CCCCC1)(C1=CC(=C(C=C1)Cl)OC)C(F)(F)F |
| SPLASH |
splash10-000i-0091000000-a065c55acb9f565f0608 |
| Sample Comments |
E/Z = 4:1 |
| Source of Spectrum |
ASC-365-SM21-2h (DOI: 10.1002/adsc.202300491) |
| Wiley ID |
1909684 |
