| SpectraBase Spectrum ID |
7vJ9XgODmH9 |
| Name |
3-(2',2',3',3',4',4',5',5',5'-Nonafluoropentyl)-1-(4'-methylphenyl)hex-5-yn-2(E)-en-1,6-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15F9O2 |
| InChI |
InChI=1S/C18H15F9O2/c1-11-4-6-13(7-5-11)14(29)9-12(3-2-8-28)10-15(19,20)16(21,22)17(23,24)18(25,26)27/h4-7,9,14,28-29H,3,10H2,1H3/b12-9+ |
| InChIKey |
GSXMDDYUORBXNZ-FMIVXFBMSA-N |
| Molecular Weight |
434.302 g/mol |
| SMILES |
OC(\C=C/(CC#CO)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C |
| SPLASH |
splash10-014i-0900000000-b2eff5059186cb355f40 |
| Source of Spectrum |
F-67-8813-5e |
| Wiley ID |
1691085 |
