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S-ethyl 4-iodobenzothioate
SpectraBase Compound ID 634eHfgDoqb
InChI InChI=1S/C9H9IOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey JJCQRVBQRKZXEK-UHFFFAOYSA-N
Mol Weight 292.13 g/mol
Molecular Formula C9H9IOS
Exact Mass 291.941881 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJCL0yX30k2
Name S-ethyl 4-iodobenzothioate
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.941881083 u
Formula C9H9IOS
GC Column Agilent 190915-433UI (30 m x 250 microm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C9H9IOS/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey JJCQRVBQRKZXEK-UHFFFAOYSA-N
Instrument Name Agilent 8890-5977B
Ionization Type EI
Literature Reference DOI 10.1002/chem.202202212
Molecular Weight 292.134 g/mol
SMILES C(C)SC(C1=CC=C(C=C1)I)=O
SPLASH splash10-001i-0090000000-b92d958bae15901910e6
Source of Spectrum QE-28-SM56-1z (DOI: 10.1002/chem.202202212)
Thin-Layer Chromatography 0.31 (nHex/EA, 99:1)
Wiley ID 1902369