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2-(1,3-Dithian-2-ylcarbonyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID Biq1jJkiReK
InChI InChI=1S/C12H11F3O4S3/c13-12(14,15)22(17,18)19-9-5-2-1-4-8(9)10(16)11-20-6-3-7-21-11/h1-2,4-5,11H,3,6-7H2
InChIKey YNXVAPGZVUWROB-UHFFFAOYSA-N
Mol Weight 372.39 g/mol
Molecular Formula C12H11F3O4S3
Exact Mass 371.977157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DW1LoPGNs
Name 2-(1,3-Dithian-2-ylcarbonyl)phenyl trifluoromethanesulfonate
Alternate Name(s) 2-(1,3-dithiane-2-carbonyl)phenyl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11F3O4S3
InChI InChI=1S/C12H11F3O4S3/c13-12(14,15)22(17,18)19-9-5-2-1-4-8(9)10(16)11-20-6-3-7-21-11/h1-2,4-5,11H,3,6-7H2
InChIKey YNXVAPGZVUWROB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02350
Molecular Weight 372.391 g/mol
SMILES C(S(Oc1ccccc1C(C1SCCCS1)=O)(=O)=O)(F)(F)F
SPLASH splash10-024u-5930000000-1b343ccb791fe65868a5
Source of Spectrum J-81-1399-34
Wiley ID 1804320