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S-ethyl 2-phenylbutanethioate
SpectraBase Compound ID LKnYg6S4MsF
InChI InChI=1S/C12H16OS/c1-3-11(12(13)14-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey GBIQODSQVWJZNW-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 8Tz0sZKxKSf
Name S-ethyl 2-phenylbutanethioate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.092186308 u
Formula C12H16OS
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C12H16OS/c1-3-11(12(13)14-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKey GBIQODSQVWJZNW-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 208.319 g/mol
Quality 98
SMILES C(C)SC(C(CC)C1=CC=CC=C1)=O
SPLASH splash10-0006-9300000000-6190bff047cf688efe56
Source of Spectrum QE-28-SM25-1j (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.27 (nHex/Et2O, 30:1)
Wiley ID 1902358