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4-(tert-Butyl)-2-(hydroxymethyl)-1-cyclohexenyl trifluoromethanesulfonate
SpectraBase Compound ID AVZag5ebjRg
InChI InChI=1S/C12H19F3O4S/c1-11(2,3)9-4-5-10(8(6-9)7-16)19-20(17,18)12(13,14)15/h9,16H,4-7H2,1-3H3
InChIKey QNIUYUGVMIXCJZ-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C12H19F3O4S
Exact Mass 316.095615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tLXVeK0pKp
Name 4-(tert-Butyl)-2-(hydroxymethyl)-1-cyclohexenyl trifluoromethanesulfonate
Alternate Name(s) 4-(tert-butyl)-2-(hydroxymethyl)cyclohex-1-en-1-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19F3O4S
InChI InChI=1S/C12H19F3O4S/c1-11(2,3)9-4-5-10(8(6-9)7-16)19-20(17,18)12(13,14)15/h9,16H,4-7H2,1-3H3
InChIKey QNIUYUGVMIXCJZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200010)342_8_791
Molecular Weight 316.335 g/mol
SMILES OCC=1CC(C(C)(C)C)CCC1OS(=O)(C(F)(F)F)=O
SPLASH splash10-0a4i-9200000000-d1677cf32bd1005468bb
Source of Spectrum JF-342-796-3b
Wiley ID 1767085