| SpectraBase Spectrum ID |
9bJQBm5qrDr |
| Name |
1,1,1-trifluoro-3-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanyl-propan-2-one |
| Alternate Name(s) |
1,1,1-trifluoro-3-[[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]thio]-2-propanone
1,1,1-trifluoro-3-[[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]thio]acetone
1,1,1-tris(fluoranyl)-3-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanyl-propan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29F3OS |
| InChI |
InChI=1S/C21H29F3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20(25)21(22,23)24/h3-4,6-7,9-10,12-13,16-17H,2,5,8,11,14-15,18-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,17-16+ |
| InChIKey |
RBPYIYOPSGHFQG-IIFHDYRKSA-N |
| Molecular Weight |
386.517 g/mol |
| SMILES |
C(C(=O)CSC\C=C\CC\C=C/C\C=C/C\C=C/C\C=C/CC)(F)(F)F |
| SPLASH |
splash10-004i-9000000000-97696e0579a46cc9bf48 |
| Source of Spectrum |
KC-0-2275-18 |
| Wiley ID |
831272 |
![1,1,1-trifluoro-3-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanyl-propan-2-one](/api/spectrum/9bJQBm5qrDr/structure.png?h=300&w=458 "1,1,1-trifluoro-3-[(2E,6Z,9Z,12Z,15Z)-octadeca-2,6,9,12,15-pentaenyl]sulfanyl-propan-2-one")
