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(5R*,6R*,E)-1-(4-Bromobenzylidene)-6-hydroxyspiro[4.5]decan-7-one
SpectraBase Compound ID 4D9GEt05yCf
InChI InChI=1S/C17H19BrO2/c18-14-7-5-12(6-8-14)11-13-3-1-9-17(13)10-2-4-15(19)16(17)20/h5-8,11,16,20H,1-4,9-10H2/b13-11+/t16-,17+/m0/s1
InChIKey BTBCMZGZBFMKBC-KORIGIIASA-N
Mol Weight 335.24 g/mol
Molecular Formula C17H19BrO2
Exact Mass 334.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRAxGY0ZUOM
Name (5R*,6R*,E)-1-(4-Bromobenzylidene)-6-hydroxyspiro[4.5]decan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrO2
InChI InChI=1S/C17H19BrO2/c18-14-7-5-12(6-8-14)11-13-3-1-9-17(13)10-2-4-15(19)16(17)20/h5-8,11,16,20H,1-4,9-10H2/b13-11+/t16-,17+/m0/s1
InChIKey BTBCMZGZBFMKBC-KORIGIIASA-N
Literature Reference DOI 10.1021/jo5023266
Molecular Weight 335.241 g/mol
SMILES O[C@@]1([C@@]2(\C(=C\c3ccc(cc3)Br)CCC2)CCCC1=O)[H]
SPLASH splash10-02ar-0928000000-2f01f9c759582e2a6cbd
Source of Spectrum J-79-11809-2k
Synonyms (5R,6R,E)-1-(4-bromobenzylidene)-6-hydroxyspiro[4.5]decan-7-one
Wiley ID 1755852