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Spiro[4.5]dec-6-en-8-one, 1-methyl-4-(1-methylethyl)-9-(phenylthio)-, (1.alpha.,4.alpha.,5.alpha.)-
SpectraBase Compound ID AWht3l7rtQk
InChI InChI=1S/C20H26OS/c1-14(2)17-10-9-15(3)20(17)12-11-18(21)19(13-20)22-16-7-5-4-6-8-16/h4-8,11-12,14-15,17,19H,9-10,13H2,1-3H3/t15-,17-,19?,20-/m1/s1
InChIKey YKYUNPIBCQMNTN-BVJQZSGXSA-N
Mol Weight 314.49 g/mol
Molecular Formula C20H26OS
Exact Mass 314.170437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CM3xjQOOVTG
Name Spiro[4.5]dec-6-en-8-one, 1-methyl-4-(1-methylethyl)-9-(phenylthio)-, (1.alpha.,4.alpha.,5.alpha.)-
CAS Registry Number 57683-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26OS
InChI InChI=1S/C20H26OS/c1-14(2)17-10-9-15(3)20(17)12-11-18(21)19(13-20)22-16-7-5-4-6-8-16/h4-8,11-12,14-15,17,19H,9-10,13H2,1-3H3/t15-,17-,19?,20-/m1/s1
InChIKey YKYUNPIBCQMNTN-BVJQZSGXSA-N
Molecular Weight 314.487 g/mol
SMILES [C@]12(C=CC(C(C2)Sc2ccccc2)=O)[C@](CC[C@]1(C)[H])(C(C)C)[H]
SPLASH splash10-0973-8901000000-a642abe29accf74a2999
Source of Spectrum C-97-5877-0
Synonyms (1R,4R,5R)-1-isopropyl-4-methyl-9-(phenylsulfanyl)spiro[4.5]dec-6-en-8-one 6,7-Dehydro-1-isopropyl-4-methyl-9-phenylthiospiro(4.5)decan-8-one
Wiley ID 1315385