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2-(Phenylthio)ethyl 3-(2,3-dihydrobenzofuran-5-yl)propanoate
SpectraBase Compound ID 4h0CgRTlqDq
InChI InChI=1S/C19H20O3S/c20-19(22-12-13-23-17-4-2-1-3-5-17)9-7-15-6-8-18-16(14-15)10-11-21-18/h1-6,8,14H,7,9-13H2
InChIKey LXSGIVCBKWJYQN-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C19H20O3S
Exact Mass 328.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEHczlQvmFr
Name 2-(Phenylthio)ethyl 3-(2,3-dihydrobenzofuran-5-yl)propanoate
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 328.113315675 u
Formula C19H20O3S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C19H20O3S/c20-19(22-12-13-23-17-4-2-1-3-5-17)9-7-15-6-8-18-16(14-15)10-11-21-18/h1-6,8,14H,7,9-13H2
InChIKey LXSGIVCBKWJYQN-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 328.426 g/mol
Quality 150
Reported Formula C19H20O3S
SMILES C1(=CC=CC=C1)SCCOC(CCC1=CC2=C(C=C1)OCC2)=O
SPLASH splash10-003u-1902000000-f8a1e9ee82713504d2e1
Source of Spectrum ACI-61-SM29-23 (DOI: 10.1002/anie.202211939)
Wiley ID 1899537