(1R*,2S*,4S*)-6-Bromo-5-(5,5-dimethyl-1,3-dioxan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide

SpectraBase Compound ID	EJ9W0Mb4rfs
InChI	InChI=1S/C17H22BrNO5/c1-16(2)7-23-15(24-8-16)12-10-5-9(6-19)11(13(12)18)14(20)17(10,21-3)22-4/h9-11,15H,5,7-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey	VZWHSUIHRFJXCV-OUAUKWLOSA-N Google Search
Mol Weight	400.27 g/mol
Molecular Formula	C17H22BrNO5
Exact Mass	399.068136 g/mol

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SpectraBase Spectrum ID	AmkvIKHNfDA
Name	(1R,2S,4S*)-6-Bromo-5-(5,5-dimethyl-1,3-dioxan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22BrNO5
InChI	InChI=1S/C17H22BrNO5/c1-16(2)7-23-15(24-8-16)12-10-5-9(6-19)11(13(12)18)14(20)17(10,21-3)22-4/h9-11,15H,5,7-8H2,1-4H3/t9-,10+,11-/m1/s1
InChIKey	VZWHSUIHRFJXCV-OUAUKWLOSA-N
Molecular Weight	400.269 g/mol
SMILES	C1(=C([C@@]2(C(C([C@]1(C[C@@]2(C#N)[H])[H])(OC)OC)=O)[H])Br)C1OCC(CO1)(C)C
SPLASH	splash10-00y3-8269000000-2b1068635e8bbdc1851b
Source of Spectrum	F-59-4043-3e
Wiley ID	1678081