| SpectraBase Spectrum ID |
IMkfuzxrOAL |
| Name |
N-{(2S)-2-Iodo-3-perfluorohexylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H19F13INO3S |
| InChI |
InChI=1S/C19H19F13INO3S/c1-12(2)8-3-4-13(12)7-38(36,37)34(10(13)5-8)11(35)9(33)6-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h8-10H,3-7H2,1-2H3/t8-,9+,10+,13-/m1/s1 |
| InChIKey |
RRABBTWGWUOVIO-KEPMVKOISA-N |
| Molecular Weight |
715.309 g/mol |
| SMILES |
CC1(C)[C@@]23CC[C@@]1(C[C@@]2(N(C([C@](CC(F)(F)C(F)(F)C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)(I)[H])=O)S(=O)(C3)=O)[H])[H] |
| SPLASH |
splash10-00e9-0800590100-3fa479afa3be34c81138 |
| Source of Spectrum |
A1-9-2513/SMS5-13_minorisomer |
| Synonyms |
(S)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodononan-1-one |
| Wiley ID |
1758176 |
