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4-(tert-Butyl)-2-formyl-1-cyclohexenyl trifluoromethanesulfonate
SpectraBase Compound ID GWOaN9foHIg
InChI InChI=1S/C12H17F3O4S/c1-11(2,3)9-4-5-10(8(6-9)7-16)19-20(17,18)12(13,14)15/h7,9H,4-6H2,1-3H3
InChIKey PVUSBBDKSMKNTG-UHFFFAOYSA-N
Mol Weight 314.32 g/mol
Molecular Formula C12H17F3O4S
Exact Mass 314.079965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jmgmr4ucz8
Name 4-(tert-Butyl)-2-formyl-1-cyclohexenyl trifluoromethanesulfonate
Alternate Name(s) 4-(tert-butyl)-2-formylcyclohex-1-en-1-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17F3O4S
InChI InChI=1S/C12H17F3O4S/c1-11(2,3)9-4-5-10(8(6-9)7-16)19-20(17,18)12(13,14)15/h7,9H,4-6H2,1-3H3
InChIKey PVUSBBDKSMKNTG-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200010)342_8_791
Molecular Weight 314.319 g/mol
SMILES C1(OS(=O)(C(F)(F)F)=O)=C(CC(C(C)(C)C)CC1)C=O
SPLASH splash10-0a4i-9300000000-0abb28246994cc8631bd
Source of Spectrum JF-342-797-4b
Wiley ID 1767087