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(5R*,6R*,E)-6-Hydroxy-1-(4-(phenylethynyl)benzylidene)spiro-[4.5]decan-7-one

View entire compound with spectra: 1 MS (GC)

(5R*,6R*,E)-6-Hydroxy-1-(4-(phenylethynyl)benzylidene)spiro-[4.5]decan-7-one
SpectraBase Compound ID J6Tl1E4ETDE
InChI InChI=1S/C25H24O2/c26-23-9-5-17-25(24(23)27)16-4-8-22(25)18-21-14-12-20(13-15-21)11-10-19-6-2-1-3-7-19/h1-3,6-7,12-15,18,24,27H,4-5,8-9,16-17H2/b22-18+/t24-,25-/m1/s1
InChIKey BACMNABXGZRLEU-CRIDXPRZSA-N
Mol Weight 356.47 g/mol
Molecular Formula C25H24O2
Exact Mass 356.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFcE8ievyTu
Name (5R*,6R*,E)-6-Hydroxy-1-(4-(phenylethynyl)benzylidene)spiro-[4.5]decan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24O2
InChI InChI=1S/C25H24O2/c26-23-9-5-17-25(24(23)27)16-4-8-22(25)18-21-14-12-20(13-15-21)11-10-19-6-2-1-3-7-19/h1-3,6-7,12-15,18,24,27H,4-5,8-9,16-17H2/b22-18+/t24-,25-/m1/s1
InChIKey BACMNABXGZRLEU-CRIDXPRZSA-N
Molecular Weight 356.465 g/mol
SMILES O[C@@]1(C(CCC[C@]11\C(CCC1)=C\c1ccc(cc1)C#Cc1ccccc1)=O)[H]
SPLASH splash10-0a4l-0539000000-b8cd856d6b6e55f77a08
Source of Spectrum J-79-11809-2l
Synonyms (5R,6S)-6-hydroxy-1-((E)-4-(phenylethynyl)benzylidene)spiro[4.5]decan-7-one
Wiley ID 1801519