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2-(Phenylthio)ethyl 3-(2-fluorophenyl)propanoate
SpectraBase Compound ID LlW8TslKq75
InChI InChI=1S/C17H17FO2S/c18-16-9-5-4-6-14(16)10-11-17(19)20-12-13-21-15-7-2-1-3-8-15/h1-9H,10-13H2
InChIKey GDTHSHMKOBCVFP-UHFFFAOYSA-N
Mol Weight 304.38 g/mol
Molecular Formula C17H17FO2S
Exact Mass 304.093329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y2oxODPTD
Name 2-(Phenylthio)ethyl 3-(2-fluorophenyl)propanoate
Appearance Light-yellow oil
Carrier Gas Argon
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Exact Mass 304.093329122 u
Formula C17H17FO2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C17H17FO2S/c18-16-9-5-4-6-14(16)10-11-17(19)20-12-13-21-15-7-2-1-3-8-15/h1-9H,10-13H2
InChIKey GDTHSHMKOBCVFP-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 304.379 g/mol
Quality 180
Reported Formula C17H17FO2S
SMILES C1(=CC=CC=C1)SCCOC(CCC1=C(C=CC=C1)F)=O
SPLASH splash10-000i-1900000000-28ba3d38670f4bc5dfd3
Source of Spectrum ACI-61-SM26-16 (DOI: 10.1002/anie.202211939)
Wiley ID 1899531