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N-{(2R)-2-Iodo-3-trifluoromethylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam
SpectraBase Compound ID 6DKQIh0yyvv
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
Mol Weight 465.27 g/mol
Molecular Formula C14H19F3INO3S
Exact Mass 465.008244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPkOL7jUXKC
Name N-{(2R)-2-Iodo-3-trifluoromethylpropanoyl}-(1S,2R,4R)-bornane-10,2-sultam
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
Synonyms (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
Wiley ID 1758183