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2-[1'-(4"-Bromophenylsulfonyloxy)ethyl]-2,4,4-trimethylbicyclo[3.2.1]oct-6-en-3-one
SpectraBase Compound ID 4REqUwR71Rf
InChI InChI=1S/C19H23BrO4S/c1-12(24-25(22,23)16-9-7-15(20)8-10-16)19(4)14-6-5-13(11-14)18(2,3)17(19)21/h5-10,12-14H,11H2,1-4H3
InChIKey YWODCINBKUCVJU-UHFFFAOYSA-N
Mol Weight 427.35 g/mol
Molecular Formula C19H23BrO4S
Exact Mass 426.050043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5RrMOmAXx1
Name 2-[1'-(4"-Bromophenylsulfonyloxy)ethyl]-2,4,4-trimethylbicyclo[3.2.1]oct-6-en-3-one
Alternate Name(s) 1-(2,4,4-trimethyl-3-oxobicyclo[3.2.1]oct-6-en-2-yl)ethyl 4-bromobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23BrO4S
InChI InChI=1S/C19H23BrO4S/c1-12(24-25(22,23)16-9-7-15(20)8-10-16)19(4)14-6-5-13(11-14)18(2,3)17(19)21/h5-10,12-14H,11H2,1-4H3
InChIKey YWODCINBKUCVJU-UHFFFAOYSA-N
Molecular Weight 427.353 g/mol
SMILES C(OS(c1ccc(cc1)Br)(=O)=O)(C1(C(C(C)(C)C2CC1C=C2)=O)C)C
SPLASH splash10-00di-4900000000-7265a3a1a6d0839cadf2
Source of Spectrum H-76-2205-13
Wiley ID 1379818