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(2S)-Benzyl 2-trifluoromethanesulfenyl-1-oxoindan-2-carboxylate
SpectraBase Compound ID LxvT0QA3bCJ
InChI InChI=1S/C18H13F3O3S/c19-18(20,21)25-17(10-13-8-4-5-9-14(13)15(17)22)16(23)24-11-12-6-2-1-3-7-12/h1-9H,10-11H2/t17-/m0/s1
InChIKey VBUCXNJZKVQFDX-KRWDZBQOSA-N
Mol Weight 366.35 g/mol
Molecular Formula C18H13F3O3S
Exact Mass 366.05375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8idAj5j9VE8
Name (2S)-Benzyl 2-trifluoromethanesulfenyl-1-oxoindan-2-carboxylate
Alternate Name(s) benzyl (S)-1-oxo-2-((trifluoromethyl)thio)-2,3-dihydro-1H-indene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F3O3S
InChI InChI=1S/C18H13F3O3S/c19-18(20,21)25-17(10-13-8-4-5-9-14(13)15(17)22)16(23)24-11-12-6-2-1-3-7-12/h1-9H,10-11H2/t17-/m0/s1
InChIKey VBUCXNJZKVQFDX-KRWDZBQOSA-N
Literature Reference DOI 10.1002/anie.201304957
Molecular Weight 366.354 g/mol
SMILES [C@]1(SC(F)(F)F)(C(=O)OCc2ccccc2)Cc2c(C1=O)cccc2
SPLASH splash10-0006-9330000000-3648151dbe9f4aca6094
Source of Spectrum ACI-52-SMS9-arb12
Wiley ID 1781819