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1-(ethylthio)pentan-3-one
SpectraBase Compound ID G8kSnx7RGZ3
InChI InChI=1S/C7H14OS/c1-3-7(8)5-6-9-4-2/h3-6H2,1-2H3
InChIKey ZTDLOAKNHCEXIE-UHFFFAOYSA-N
Mol Weight 146.25 g/mol
Molecular Formula C7H14OS
Exact Mass 146.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJVGpYgAB6B
Name 1-(ethylthio)pentan-3-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 146.076536244 u
Formula C7H14OS
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C7H14OS/c1-3-7(8)5-6-9-4-2/h3-6H2,1-2H3
InChIKey ZTDLOAKNHCEXIE-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Quality 262
SMILES CCSCCC(CC)=O
SPLASH splash10-0a4i-9300000000-3269f116ff6e03cd6082
Source of Spectrum QE-28-SM102-3da (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.24 (PE/EA, 97:3)
Wiley ID 1902379