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4-Isopropyl-1,3-cyclohexadien-1-yl trifluoromethanesulfonate
SpectraBase Compound ID DkHgUeWErxJ
InChI InChI=1S/C10H13F3O3S/c1-7(2)8-3-5-9(6-4-8)16-17(14,15)10(11,12)13/h3,5,7H,4,6H2,1-2H3
InChIKey CRLQEGISFRKALM-UHFFFAOYSA-N
Mol Weight 270.27 g/mol
Molecular Formula C10H13F3O3S
Exact Mass 270.05375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iuolyfCn0v
Name 4-Isopropyl-1,3-cyclohexadien-1-yl trifluoromethanesulfonate
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13F3O3S
InChI InChI=1S/C10H13F3O3S/c1-7(2)8-3-5-9(6-4-8)16-17(14,15)10(11,12)13/h3,5,7H,4,6H2,1-2H3
InChIKey CRLQEGISFRKALM-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000684
Molecular Weight 270.266 g/mol
Reported Formula C10H13F3O3S
SMILES C1=C(OS(C(F)(F)F)(=O)=O)CCC(C(C)C)=C1
SPLASH splash10-00kb-9100000000-d6a938f079aaa7266967
Source of Spectrum U1-2020-4897-17a
Thin-Layer Chromatography Rf = 0.21 (SiO2, pentane)
Wiley ID 1860849