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(5R*,6R*,E)-1-Benzylidene-6-hydroxyspiro[4.5]decan-7-one
SpectraBase Compound ID 4LQDQs76LIA
InChI InChI=1S/C17H20O2/c18-15-9-5-11-17(16(15)19)10-4-8-14(17)12-13-6-2-1-3-7-13/h1-3,6-7,12,16,19H,4-5,8-11H2/b14-12+/t16-,17+/m0/s1
InChIKey UCOKUKCFDGXMKN-WJUDILCISA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO8h1ZCSmI
Name (5R*,6R*,E)-1-Benzylidene-6-hydroxyspiro[4.5]decan-7-one
Alternate Name(s) (5R,6R,E)-1-benzylidene-6-hydroxyspiro[4.5]decan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c18-15-9-5-11-17(16(15)19)10-4-8-14(17)12-13-6-2-1-3-7-13/h1-3,6-7,12,16,19H,4-5,8-11H2/b14-12+/t16-,17+/m0/s1
InChIKey UCOKUKCFDGXMKN-WJUDILCISA-N
Literature Reference DOI 10.1021/jo5023266
Molecular Weight 256.345 g/mol
SMILES O[C@@]1([C@]2(CCCC1=O)\C(=C\c1ccccc1)CCC2)[H]
SPLASH splash10-053u-0960000000-12a6a477d13609232625
Source of Spectrum J-79-11808-2a
Wiley ID 1755847