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2-(Phenylthio)ethyl 3-(4-chlorophenyl)propanoate
SpectraBase Compound ID D1akFkLdsum
InChI InChI=1S/C17H17ClO2S/c18-15-9-6-14(7-10-15)8-11-17(19)20-12-13-21-16-4-2-1-3-5-16/h1-7,9-10H,8,11-13H2
InChIKey IGZLDPUWZZXMFG-UHFFFAOYSA-N
Mol Weight 320.83 g/mol
Molecular Formula C17H17ClO2S
Exact Mass 320.063779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z41a246bEl
Name 2-(Phenylthio)ethyl 3-(4-chlorophenyl)propanoate
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 320.063778659 u
Formula C17H17ClO2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C17H17ClO2S/c18-15-9-6-14(7-10-15)8-11-17(19)20-12-13-21-16-4-2-1-3-5-16/h1-7,9-10H,8,11-13H2
InChIKey IGZLDPUWZZXMFG-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 320.834 g/mol
Quality 199
Reported Formula C17H17ClO2S
SMILES C1(=CC=CC=C1)SCCOC(CCC1=CC=C(C=C1)Cl)=O
SPLASH splash10-000i-2901000000-9b6d746e58b8e9bb56b9
Source of Spectrum ACI-61-SM25-15 (DOI: 10.1002/anie.202211939)
Wiley ID 1899530