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1,9-Decadien-3-one, 5-(methylthio)-
SpectraBase Compound ID EteVQ4zZp5W
InChI InChI=1S/C11H18OS/c1-4-6-7-8-11(13-3)9-10(12)5-2/h4-5,11H,1-2,6-9H2,3H3
InChIKey ILIJSQJTYKTRAK-UHFFFAOYSA-N
Mol Weight 198.32 g/mol
Molecular Formula C11H18OS
Exact Mass 198.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByulneRz6Do
Name 1,9-Decadien-3-one, 5-(methylthio)-
CAS Registry Number 80727-30-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18OS
InChI InChI=1S/C11H18OS/c1-4-6-7-8-11(13-3)9-10(12)5-2/h4-5,11H,1-2,6-9H2,3H3
InChIKey ILIJSQJTYKTRAK-UHFFFAOYSA-N
Molecular Weight 198.324 g/mol
SMILES C(C=C)(CC(SC)CCCC=C)=O
SPLASH splash10-0udj-3900000000-1fea96cce8b87af58e38
Source of Spectrum H-64-2027-0
Synonyms 5-(methylsulfanyl)-1,9-decadien-3-one 5-(methylthio)-1,9-decadien-3-one
Wiley ID 1195452