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(2S)-tert-Butyl 2-trifluoromethanesulfenyl-6-methoxy-1-oxoindan-2-carboxylate
SpectraBase Compound ID GQGvKWjPKOL
InChI InChI=1S/C16H17F3O4S/c1-14(2,3)23-13(21)15(24-16(17,18)19)8-9-5-6-10(22-4)7-11(9)12(15)20/h5-7H,8H2,1-4H3/t15-/m0/s1
InChIKey GXLIDNPPNKGBNG-HNNXBMFYSA-N
Mol Weight 362.36 g/mol
Molecular Formula C16H17F3O4S
Exact Mass 362.079965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEqRUrqvxn8
Name (2S)-tert-Butyl 2-trifluoromethanesulfenyl-6-methoxy-1-oxoindan-2-carboxylate
Alternate Name(s) tert-Butyl (S)-6-methoxy-1-oxo-2-((trifluoromethyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3O4S
InChI InChI=1S/C16H17F3O4S/c1-14(2,3)23-13(21)15(24-16(17,18)19)8-9-5-6-10(22-4)7-11(9)12(15)20/h5-7H,8H2,1-4H3/t15-/m0/s1
InChIKey GXLIDNPPNKGBNG-HNNXBMFYSA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 362.363 g/mol
SMILES C(S[C@@]1(C(=O)OC(C)(C)C)Cc2ccc(cc2C1=O)OC)(F)(F)F
SPLASH splash10-0a4r-5982000000-9fd5f6635db177fb8ebe
Source of Spectrum ACI-52-SMS5-arb3
Wiley ID 1781828