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2-(Phenylthio)ethyl 5-methoxypentanoate
SpectraBase Compound ID 1byGF0F2PQb
InChI InChI=1S/C14H20O3S/c1-16-10-6-5-9-14(15)17-11-12-18-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey VQUCPJOTNLYZAF-UHFFFAOYSA-N
Mol Weight 268.37 g/mol
Molecular Formula C14H20O3S
Exact Mass 268.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KN7dTjQFEQe
Name 2-(Phenylthio)ethyl 5-methoxypentanoate
Appearance Colorless oil
Carrier Gas Argon
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Exact Mass 268.113315675 u
Formula C14H20O3S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C14H20O3S/c1-16-10-6-5-9-14(15)17-11-12-18-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3
InChIKey VQUCPJOTNLYZAF-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Quality 198
Reported Formula C14H20O3S
SMILES C1(=CC=CC=C1)SCCOC(CCCCOC)=O
SPLASH splash10-000i-2900000000-b84c6267adedb8805e82
Source of Spectrum ACI-61-SM21-7 (DOI: 10.1002/anie.202211939)
Wiley ID 1899585