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3-(2-methyl-1,3-dioxolan-2-yl)-2-(phenylthio)propanal
SpectraBase Compound ID JHw37boEQ5N
InChI InChI=1S/C13H16O3S/c1-13(15-7-8-16-13)9-12(10-14)17-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKey KLPXKYZGTAXMRE-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20Da14RgYNk
Name 3-(2-methyl-1,3-dioxolan-2-yl)-2-(phenylthio)propanal
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-13(15-7-8-16-13)9-12(10-14)17-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKey KLPXKYZGTAXMRE-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C1(CC(Sc2ccccc2)C=O)(OCCO1)C
SPLASH splash10-000i-9000000000-e7d8677c8c7aff9294f8
Source of Spectrum J-60-8388-10
Synonyms 3-(2-methyl-1,3-dioxolan-2-yl)-2-(phenylthio)propionaldehyde 3-(2-methyl-1,3-dioxolan-2-yl)-2-phenylsulfanylpropanal
Wiley ID 1255329