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S-ETHYL-4-CHLOROTHIOLBENZOATE
SpectraBase Compound ID DjbduuffxVE
InChI InChI=1S/C9H9ClOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey PUGWLRJVMNHOCL-UHFFFAOYSA-N
Mol Weight 200.68 g/mol
Molecular Formula C9H9ClOS
Exact Mass 200.006264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bpv1jw7eT86
Name S-ethyl 4-chlorobenzothioate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.006263783 u
Formula C9H9ClOS
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C9H9ClOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey PUGWLRJVMNHOCL-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 200.683 g/mol
Quality 135
SMILES C(C)SC(C1=CC=C(C=C1)Cl)=O
SPLASH splash10-000i-0900000000-08cabe9dd66062120cf9
Source of Spectrum QE-28-SM52-1x (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.38 (nHex/EA, 99:1)
Wiley ID 1902368