| SpectraBase Spectrum ID |
LQ6GMewDiW3 |
| Name |
5-(4-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/c1-18-12-6-3-10(4-7-12)2-5-11(8-9-17)13(14,15)16/h3-4,6-7,11H,8H2,1H3 |
| InChIKey |
OLUULSRUFDNXCA-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 |
c1cc(C#CC(C(F)(F)F)CC#N)ccc1OC |
| SPLASH |
splash10-03di-0290000000-eab152daca6ad3bd1060 |
| Source of Spectrum |
A1-23-SM63-4a |
| Wiley ID |
1870248 |
