| SpectraBase Compound ID | Dl3uTrnXGNs |
|---|---|
| InChI | InChI=1S/C13H3F13OS/c14-8(15,7(27)2-1-6-3-4-28-5-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3-5H |
| InChIKey | CNZHGPJSVBVMTH-UHFFFAOYSA-N |
| Mol Weight | 454.21 g/mol |
| Molecular Formula | C13H3F13OS |
| Exact Mass | 453.969702 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 89JmyfojVkU |
|---|---|
| Name | 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-thiophen-3-yl-non-1-yn-3-one |
| Alternate Name(s) | n-Perfluorohexyl 3-Thienylacetylenyl Ketone 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-(3-thiophenyl)-1-nonyn-3-one 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1-thiophen-3-ylnon-1-yn-3-one 4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)-1-thiophen-3-yl-non-1-yn-3-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H3F13OS |
| InChI | InChI=1S/C13H3F13OS/c14-8(15,7(27)2-1-6-3-4-28-5-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3-5H |
| InChIKey | CNZHGPJSVBVMTH-UHFFFAOYSA-N |
| Molecular Weight | 454.205 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C#Cc1cscc1)=O)(F)F)(F)F)(F)F |
| SPLASH | splash10-000i-0900000000-683b55944c18c01d4225 |
| Source of Spectrum | U1-2010-7017-2p |
| Wiley ID | 1664724 |