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2-Formyl-4-phenyl-1-cyclohexenyl trifluoromethanesulfonate
SpectraBase Compound ID IOW4vP4rKPi
InChI InChI=1S/C14H13F3O4S/c15-14(16,17)22(19,20)21-13-7-6-11(8-12(13)9-18)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKey WPSIFJVNHVXKON-UHFFFAOYSA-N
Mol Weight 334.31 g/mol
Molecular Formula C14H13F3O4S
Exact Mass 334.048665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LVl4nS2CDz
Name 2-Formyl-4-phenyl-1-cyclohexenyl trifluoromethanesulfonate
Alternate Name(s) 5-Formyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-yl trifluoromethanesulfonate
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Formula C14H13F3O4S
InChI InChI=1S/C14H13F3O4S/c15-14(16,17)22(19,20)21-13-7-6-11(8-12(13)9-18)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2
InChIKey WPSIFJVNHVXKON-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1521-3897(200010)342_8_791
Molecular Weight 334.309 g/mol
SMILES C1(OS(=O)(C(F)(F)F)=O)=C(C=O)CC(c2ccccc2)CC1
SPLASH splash10-0udi-2901000000-b30945ff18f4d2997c1f
Source of Spectrum JF-342-797-4a
Wiley ID 1767086