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2-(Hydroxymethyl)-4-phenyl-1-cyclohexenyl trifluoromethanesulfonate
SpectraBase Compound ID 8IgOP47Yyyi
InChI InChI=1S/C14H15F3O4S/c15-14(16,17)22(19,20)21-13-7-6-11(8-12(13)9-18)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2
InChIKey YRLYGWRANRAGII-UHFFFAOYSA-N
Mol Weight 336.33 g/mol
Molecular Formula C14H15F3O4S
Exact Mass 336.064315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlHqV2j2AdF
Name 2-(Hydroxymethyl)-4-phenyl-1-cyclohexenyl trifluoromethanesulfonate
Alternate Name(s) 5-(hydroxymethyl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15F3O4S
InChI InChI=1S/C14H15F3O4S/c15-14(16,17)22(19,20)21-13-7-6-11(8-12(13)9-18)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2
InChIKey YRLYGWRANRAGII-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200010)342_8_791
Molecular Weight 336.325 g/mol
SMILES OCC1=C(OS(=O)(C(F)(F)F)=O)CCC(c2ccccc2)C1
SPLASH splash10-0udr-1901000000-5b2891d656bed320cec9
Source of Spectrum JF-342-796-3a
Wiley ID 1767084