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S-ethyl naphthalene-2-carbothioate
SpectraBase Compound ID GclSOZo3dOI
InChI InChI=1S/C13H12OS/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKey YCOAWEZXBPLFIP-UHFFFAOYSA-N
Mol Weight 216.3 g/mol
Molecular Formula C13H12OS
Exact Mass 216.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e4hX83sM9b
Name S-ethyl naphthalene-2-carbothioate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.060886179 u
Formula C13H12OS
InChI InChI=1S/C13H12OS/c1-2-15-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKey YCOAWEZXBPLFIP-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 216.298 g/mol
Quality 62
SMILES C(C)SC(=O)C1=CC2=C(C=C1)C=CC=C2
SPLASH splash10-0a6r-0900000000-97392c7000c9a00c8591
Source of Spectrum QE-28-SM68-1G(SM68) (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.45 (PE/EA, 97:3)
Wiley ID 1902355