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(5R*,6R*,E)-6-Hydroxy-1-(4-methylbenzylidene)spiro[4.5]decan-7-one
SpectraBase Compound ID 6p5C4ojgyQe
InChI InChI=1S/C18H22O2/c1-13-6-8-14(9-7-13)12-15-4-2-10-18(15)11-3-5-16(19)17(18)20/h6-9,12,17,20H,2-5,10-11H2,1H3/b15-12+/t17-,18+/m0/s1
InChIKey AIFNSGVVKKGZDN-ZUUPMSEOSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UmqHDp3lHn
Name (5R*,6R*,E)-6-Hydroxy-1-(4-methylbenzylidene)spiro[4.5]decan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-13-6-8-14(9-7-13)12-15-4-2-10-18(15)11-3-5-16(19)17(18)20/h6-9,12,17,20H,2-5,10-11H2,1H3/b15-12+/t17-,18+/m0/s1
InChIKey AIFNSGVVKKGZDN-ZUUPMSEOSA-N
Literature Reference DOI 10.1021/jo5023266
Molecular Weight 270.372 g/mol
SMILES O[C@@]1([C@@]2(\C(=C\c3ccc(cc3)C)CCC2)CCCC1=O)[H]
SPLASH splash10-0aba-0940000000-1bfe9bee1ddaa6b92309
Source of Spectrum J-79-11808-2c
Synonyms (5R,6R,E)-6-hydroxy-1-(4-methylbenzylidene)spiro[4.5]decan-7-one
Wiley ID 1755849