| SpectraBase Spectrum ID |
EYibuMaKUew |
| Name |
5,5,5-Trifluoro-4-(4-methoxyphenyl)-2-methylpent-3-enenitrile |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.107833944 u |
| Formula |
C18H14F3N |
| GC Column |
HP-5 MS (30 m x 250 micrometer, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C18H14F3N/c1-13(12-22)11-17(18(19,20)21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-11,13H,1H3 |
| InChIKey |
RTLZLNNHMMRGFF-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890B GC-5977B MSD |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/adsc.202300491 |
| Molecular Weight |
301.312 g/mol |
| Quality |
600 |
| Reported Formula |
C18H14F3N |
| SMILES |
C(=CC(C#N)C)(C1=CC=C(C=C1)C1=CC=CC=C1)C(F)(F)F |
| SPLASH |
splash10-0udi-0279000000-2ed1712359fd6d25d991 |
| Sample Comments |
E/Z = 2.4:1 |
| Source of Spectrum |
ASC-365-SM26-2r (DOI: 10.1002/adsc.202300491) |
| Wiley ID |
1909702 |
