(1S*,2S*,4R*)-5-Bromo-1-(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	BYdV0BVuZAz
InChI	InChI=1S/C17H22BrNO5/c1-15(2)8-23-14(24-9-15)16-6-12(18)11(5-10(16)7-19)17(21-3,22-4)13(16)20/h6,10-11,14H,5,8-9H2,1-4H3/t10-,11+,16+/m1/s1
InChIKey	WWALBGHLAVLTLV-GDLVEWKHSA-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	HGAHv2SjCVY
Name	(1S,2S,4R*)-5-Bromo-1-(5,5-dimethyl-1,3-dioxan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H22BrNO5
InChI	InChI=1S/C17H22BrNO5/c1-15(2)8-23-14(24-9-15)16-6-12(18)11(5-10(16)7-19)17(21-3,22-4)13(16)20/h6,10-11,14H,5,8-9H2,1-4H3/t10-,11+,16+/m1/s1
InChIKey	WWALBGHLAVLTLV-GDLVEWKHSA-N
Molecular Weight	400.269 g/mol
SMILES	[C@]12(C(C(OC)(OC)[C@](C[C@@]2(C#N)[H])([H])C(=C1)Br)=O)C1OCC(CO1)(C)C
SPLASH	splash10-00di-2049000000-4fd03cd78ea1d0a020ca
Source of Spectrum	F-59-4043-3d
Wiley ID	1678082