| SpectraBase Spectrum ID |
GPkOL7jUXKC |
| Name |
N-{(2R)-2-Iodo-3-trifluoromethylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam |
| Alternate Name(s) |
(R)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)-4,4,4-trifluoro-2-iodobutan-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19F3INO3S |
| InChI |
InChI=1S/C14H19F3INO3S/c1-12(2)8-3-4-13(12)7-23(21,22)19(10(13)5-8)11(20)9(18)6-14(15,16)17/h8-10H,3-7H2,1-2H3/t8-,9-,10+,13-/m1/s1 |
| InChIKey |
TWPDQOOTHVHTCV-ORXSELOVSA-N |
| Literature Reference DOI |
10.1021/ol0707620 |
| Molecular Weight |
465.270 g/mol |
| SMILES |
C(C[C@](C(N1S(C[C@]23CC[C@@](C3(C)C)(C[C@]12[H])[H])(=O)=O)=O)(I)[H])(F)(F)F |
| SPLASH |
splash10-0089-0981400000-36f5b054bc3038aa997d |
| Source of Spectrum |
A1-9-2513/SMS7-17_majorisomer |
| Wiley ID |
1758183 |
