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3-(Phenylthio)propanal
SpectraBase Compound ID EpeL70mmNO3
InChI InChI=1S/C9H10OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChIKey WPKQWNJKYYXGJZ-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxGidQdPfJp
Name 3-(Phenylthio)propionaldehyde
Alternate Name(s) 3-(Phenylthio)propanal
Comments Less than 3 mono-isotopic peaks
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Formula C9H10OS
InChI InChI=1S/C9H10OS/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-7H,4,8H2
InChIKey WPKQWNJKYYXGJZ-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
SMILES C(CCSc1ccccc1)=O
SPLASH splash10-0a4i-0900000000-d23fe27c2da587639d27
Source of Spectrum KC-0-1908-1
Wiley ID 786297