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4-Methyl-2-(phenylthio)pentanal
SpectraBase Compound ID L3fFQlpzdmM
InChI InChI=1S/C12H16OS/c1-10(2)8-12(9-13)14-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey MRSDOJAVBYCYAM-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kbVvlI5uGo
Name 4-Methyl-2-(phenylthio)pentanal
Alternate Name(s) 4-Methyl-2-(phenylthio)valeraldehyde 4-Methyl-2-phenylsulfanylpentanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-10(2)8-12(9-13)14-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey MRSDOJAVBYCYAM-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(Sc1ccccc1)(C=O)CC(C)C
SPLASH splash10-08mr-0930000000-59201e0626d43a596748
Source of Spectrum KC-0-539-13
Wiley ID 830039