| SpectraBase Spectrum ID |
2XdUOmdOmmW |
| Name |
5-(3-Methoxyphenyl)-3-(trifluoromethyl)pent-4-ynenitrile |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H10F3NO |
| InChI |
InChI=1S/C13H10F3NO/c1-18-12-4-2-3-10(9-12)5-6-11(7-8-17)13(14,15)16/h2-4,9,11H,7H2,1H3 |
| InChIKey |
FKXOODAAKGEVKW-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
253.224 g/mol |
| Reported Formula |
C13H10F3NO |
| SMILES |
c1(cc(C#CC(C(F)(F)F)CC#N)ccc1)OC |
| SPLASH |
splash10-0ik9-0390000000-6a09d682cb19deb99fe5 |
| Source of Spectrum |
A1-23-SM65-4b |
| Wiley ID |
1870249 |
