| SpectraBase Spectrum ID |
8JGmx570eNp |
| Name |
N-{(2S)-2-Iodo-3-perfluoroisopropylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam |
| Alternate Name(s) |
(S)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H19F7INO3S |
| InChI |
InChI=1S/C16H19F7INO3S/c1-12(2)8-3-4-13(12)7-29(27,28)25(10(13)5-8)11(26)9(24)6-14(17,15(18,19)20)16(21,22)23/h8-10H,3-7H2,1-2H3/t8-,9+,10+,13-/m1/s1 |
| InChIKey |
CXEMZEHYWGBCLG-KEPMVKOISA-N |
| Literature Reference DOI |
10.1021/ol0707620 |
| Molecular Weight |
565.285 g/mol |
| SMILES |
C(C(C[C@@](C(N1S(C[C@]23CC[C@@](C3(C)C)(C[C@]12[H])[H])(=O)=O)=O)(I)[H])(C(F)(F)F)F)(F)(F)F |
| SPLASH |
splash10-01b9-0904000000-c447ffd6717f8a140ab2 |
| Source of Spectrum |
A1-9-2513/SMS6-15_minorisomer |
| Wiley ID |
1758180 |
