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(2S)-tert-Butyl 2-trifluoromethanesulfenyl-6-methyl-1-oxoindan-2-carboxylate
SpectraBase Compound ID 4x0GuJnhNx
InChI InChI=1S/C16H17F3O3S/c1-9-5-6-10-8-15(23-16(17,18)19,12(20)11(10)7-9)13(21)22-14(2,3)4/h5-7H,8H2,1-4H3/t15-/m0/s1
InChIKey MNXZGPAPAIDLCW-HNNXBMFYSA-N
Mol Weight 346.36 g/mol
Molecular Formula C16H17F3O3S
Exact Mass 346.08505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18HbQIchDN7
Name (2S)-tert-Butyl 2-trifluoromethanesulfenyl-6-methyl-1-oxoindan-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3O3S
InChI InChI=1S/C16H17F3O3S/c1-9-5-6-10-8-15(23-16(17,18)19,12(20)11(10)7-9)13(21)22-14(2,3)4/h5-7H,8H2,1-4H3/t15-/m0/s1
InChIKey MNXZGPAPAIDLCW-HNNXBMFYSA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 346.364 g/mol
SMILES C(S[C@@]1(C(=O)OC(C)(C)C)Cc2ccc(cc2C1=O)C)(F)(F)F
SPLASH splash10-059g-4970000000-d02cf372dc78a79eb2e9
Source of Spectrum ACI-52-SMS4-arb1
Synonyms tert-Butyl (S)-6-methyl-1-oxo-2-((trifluoromethyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
Wiley ID 1781826