For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
[(1R,6R)-6-(4-methylphenyl)sulfonyl-1-bicyclo[4.1.0]heptanyl]methyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID BDyjHg6Ywud
InChI InChI=1S/C25H27F3O5S/c1-18-10-12-20(13-11-18)34(30,31)23-15-7-6-14-22(23,16-23)17-33-21(29)24(32-2,25(26,27)28)19-8-4-3-5-9-19/h3-5,8-13H,6-7,14-17H2,1-2H3/t22-,23-,24-/m1/s1
InChIKey ADZMSVCYMFOMQU-WXFUMESZSA-N
Mol Weight 496.54 g/mol
Molecular Formula C25H27F3O5S
Exact Mass 496.15313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2xkpFLgQLRW
Name [(1R,6R)-6-(4-methylphenyl)sulfonyl-1-bicyclo[4.1.0]heptanyl]methyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Alternate Name(s) [(1R,6R)-6-(4-methylphenyl)sulfonyl-1-bicyclo[4.1.0]heptanyl]methyl (2R)-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate [(1R,6R)-6-(p-tolylsulfonyl)norcaran-1-yl]methyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(1R,6R)-6-(4-methylphenyl)sulfonyl-1-bicyclo[4.1.0]heptanyl]methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27F3O5S
InChI InChI=1S/C25H27F3O5S/c1-18-10-12-20(13-11-18)34(30,31)23-15-7-6-14-22(23,16-23)17-33-21(29)24(32-2,25(26,27)28)19-8-4-3-5-9-19/h3-5,8-13H,6-7,14-17H2,1-2H3/t22-,23-,24-/m1/s1
InChIKey ADZMSVCYMFOMQU-WXFUMESZSA-N
Molecular Weight 496.541 g/mol
SMILES C([C@@](C(F)(F)F)(c1ccccc1)OC)(=O)OC[C@@]12CCCC[C@]2(C1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4i-0900000000-646be8078c2d6d4da249
Source of Spectrum E1-43-576-21
Wiley ID 1553009