2-[1'-(4"-Bromophenylsulfonyloxy)ethyl]-2,4,4-trimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

SpectraBase Compound ID	D2DbBBNOx5h
InChI	InChI=1S/C18H21BrO5S/c1-17(2)14-8-9-15(24-14)18(3,16(17)20)10-11-23-25(21,22)13-6-4-12(19)5-7-13/h4-9,14-15H,10-11H2,1-3H3/t14-,15+,18-/m0/s1
InChIKey	FHJYFOWANSWOLO-DAYGRLMNSA-N Google Search
Mol Weight	429.33 g/mol
Molecular Formula	C18H21BrO5S
Exact Mass	428.029308 g/mol

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SpectraBase Spectrum ID	63UALrAgPCV
Name	2-[1'-(4"-Bromophenylsulfonyloxy)ethyl]-2,4,4-trimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H21BrO5S
InChI	InChI=1S/C18H21BrO5S/c1-17(2)14-8-9-15(24-14)18(3,16(17)20)10-11-23-25(21,22)13-6-4-12(19)5-7-13/h4-9,14-15H,10-11H2,1-3H3/t14-,15+,18-/m0/s1
InChIKey	FHJYFOWANSWOLO-DAYGRLMNSA-N
Molecular Weight	429.325 g/mol
SMILES	c1(S(=O)(=O)OCC[C@@]2(C(C(C)(C)[C@]3(O[C@@]2(C=C3)[H])[H])=O)C)ccc(cc1)Br
SPLASH	splash10-05fr-7900000000-b12343831005aa3b0032
Source of Spectrum	H-76-2205-15
Synonyms	2-(2,4,4-trimethyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl)ethyl 4-bromobenzenesulfonate
Wiley ID	1380553