| SpectraBase Spectrum ID |
4OQmtW4InSu |
| Name |
N-Trifluoroacetyl-1-thia-10-aza[2.2]orthometacyclophane |
| Alternate Name(s) |
11-(trifluoroacetyl)-2-thia-11-azatricyclo[10.3.1.0(4,9)]hexadeca-1(16),4,6,8,12,14-hexaene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H12F3NOS |
| InChI |
InChI=1S/C16H12F3NOS/c17-16(18,19)15(21)20-9-11-4-1-2-5-12(11)10-22-14-7-3-6-13(20)8-14/h1-8H,9-10H2 |
| InChIKey |
VWAUTQABISDKGT-UHFFFAOYSA-N |
| Molecular Weight |
323.333 g/mol |
| SMILES |
C(N1Cc2c(CSc3cc1ccc3)cccc2)(C(F)(F)F)=O |
| SPLASH |
splash10-00di-0059000000-76993045a0099116ab66 |
| Source of Spectrum |
KC-0-2941-15 |
| Wiley ID |
786882 |
![N-Trifluoroacetyl-1-thia-10-aza[2.2]orthometacyclophane](/api/spectrum/4OQmtW4InSu/structure.png?h=300&w=458 "N-Trifluoroacetyl-1-thia-10-aza[2.2]orthometacyclophane")
