| SpectraBase Spectrum ID |
3tRflOmFg9R |
| Name |
3-Acetoxy-3-(4-trifluoromethylphenyl)but-1-yne |
| Alternate Name(s) |
1-methyl-1-[4-(trifluoromethyl)phenyl]-2-propynyl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H11F3O2 |
| InChI |
InChI=1S/C13H11F3O2/c1-4-12(3,18-9(2)17)10-5-7-11(8-6-10)13(14,15)16/h1,5-8H,2-3H3 |
| InChIKey |
CYJJBUDDIUGEKU-UHFFFAOYSA-N |
| Molecular Weight |
256.224 g/mol |
| SMILES |
C(c1ccc(C(C#C)(OC(=O)C)C)cc1)(F)(F)F |
| SPLASH |
splash10-0002-0900000000-5024a75e92111457ccff |
| Source of Spectrum |
QC-5-1116-11 |
| Wiley ID |
883537 |
