For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3H-2,1-Benzoxathiole, 5-methyl-3,3-bis(trifluoromethyl)-, 1,1-dioxide
SpectraBase Compound ID EUJymR4ka2t
InChI InChI=1S/C10H6F6O3S/c1-5-2-3-7-6(4-5)8(9(11,12)13,10(14,15)16)19-20(7,17)18/h2-4H,1H3
InChIKey HHCRDCMQRUNINT-UHFFFAOYSA-N
Mol Weight 320.21 g/mol
Molecular Formula C10H6F6O3S
Exact Mass 319.994184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4TPkgQgSq4O
Name 3H-2,1-Benzoxathiole, 5-methyl-3,3-bis(trifluoromethyl)-, 1,1-dioxide
CAS Registry Number 63681-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6F6O3S
InChI InChI=1S/C10H6F6O3S/c1-5-2-3-7-6(4-5)8(9(11,12)13,10(14,15)16)19-20(7,17)18/h2-4H,1H3
InChIKey HHCRDCMQRUNINT-UHFFFAOYSA-N
Molecular Weight 320.205 g/mol
SMILES C1(OS(c2c1cc(cc2)C)(=O)=O)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0uk9-0198000000-9f5b9e7e901bfe83e16d
Source of Spectrum C-99-4398-0
Synonyms 5-Methyl-3,3-bis(trifluoromethyl)-3H-2,1-benzoxathiole 1,1-dioxide
Wiley ID 1319616