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(1S)-tert-Butyl 1-trifluoromethanesulfenyl-4-methyl-2-oxocyclopent-3-en-1-carboxylate
SpectraBase Compound ID 8EnfWrItGca
InChI InChI=1S/C12H15F3O3S/c1-7-5-8(16)11(6-7,19-12(13,14)15)9(17)18-10(2,3)4/h5H,6H2,1-4H3/t11-/m0/s1
InChIKey LIFIYMXHEWTVBB-NSHDSACASA-N
Mol Weight 296.3 g/mol
Molecular Formula C12H15F3O3S
Exact Mass 296.0694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Qkds4hZiQP
Name (1S)-tert-Butyl 1-trifluoromethanesulfenyl-4-methyl-2-oxocyclopent-3-en-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15F3O3S
InChI InChI=1S/C12H15F3O3S/c1-7-5-8(16)11(6-7,19-12(13,14)15)9(17)18-10(2,3)4/h5H,6H2,1-4H3/t11-/m0/s1
InChIKey LIFIYMXHEWTVBB-NSHDSACASA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 296.304 g/mol
SMILES C(S[C@@]1(C(=O)OC(C)(C)C)CC(=CC1=O)C)(F)(F)F
SPLASH splash10-0a4m-6960000000-dfeff565f6cce2cec649
Source of Spectrum ACI-52-SMS10-arb14
Synonyms tert-Butyl (S)-4-methyl-2-oxo-1-((trifluoromethyl)thio)cyclopent-3-ene-1-carboxylate
Wiley ID 1781821