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5,5-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)thiazolidine-4-carboxylic acid
SpectraBase Compound ID B45TmGtQHMA
InChI InChI=1S/C12H10F5NO2S/c1-12(2)9(11(19)20)18-10(21-12)3-4(13)6(15)8(17)7(16)5(3)14/h9-10,18H,1-2H3,(H,19,20)
InChIKey IQUWNVOUOWZCJS-UHFFFAOYSA-N
Mol Weight 327.27 g/mol
Molecular Formula C12H10F5NO2S
Exact Mass 327.035241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXbCk8ieLz9
Name 5,5-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)thiazolidine-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F5NO2S
InChI InChI=1S/C12H10F5NO2S/c1-12(2)9(11(19)20)18-10(21-12)3-4(13)6(15)8(17)7(16)5(3)14/h9-10,18H,1-2H3,(H,19,20)
InChIKey IQUWNVOUOWZCJS-UHFFFAOYSA-N
Instrument Name Finnigan TSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19960715)10_9_1136
Molecular Weight 327.269 g/mol
SMILES OC(C1C(SC(N1)c1c(c(c(c(c1F)F)F)F)F)(C)C)=O
SPLASH splash10-0a4i-0290000000-1611444ef3c6a97ec924
Source of Spectrum RCM-10-1140-11
Wiley ID 1836080