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6-tert-Butyl-3-(trifluoromethyl)-2,3-dihydro-1,4-benzoxathiine
SpectraBase Compound ID 7gReRl386Do
InChI InChI=1S/C13H15F3OS/c1-12(2,3)8-4-5-9-10(6-8)18-11(7-17-9)13(14,15)16/h4-6,11H,7H2,1-3H3
InChIKey BCCUPFGKVCBITR-UHFFFAOYSA-N
Mol Weight 276.32 g/mol
Molecular Formula C13H15F3OS
Exact Mass 276.079571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACsYEIMqhcN
Name 6-tert-Butyl-3-(trifluoromethyl)-2,3-dihydro-1,4-benzoxathiine
CAS Registry Number 136603-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3OS
InChI InChI=1S/C13H15F3OS/c1-12(2,3)8-4-5-9-10(6-8)18-11(7-17-9)13(14,15)16/h4-6,11H,7H2,1-3H3
InChIKey BCCUPFGKVCBITR-UHFFFAOYSA-N
Molecular Weight 276.317 g/mol
SMILES CC(c1cc2SC(C(F)(F)F)COc2cc1)(C)C
SPLASH splash10-03di-3490000000-756cfc75779b4622a68e
Source of Spectrum AD-0-2532-0
Synonyms 1,4-Benzoxathiin, 6-(1,1-dimethylethyl)-2,3-dihydro-3-(trifluoromethyl)- 6-tert-Butyl-3-(trifluoromethyl)-2,3-dihydro-1,4-benzoxathiin
Wiley ID 1425186