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2-(Phenylthio)ethyl 5-methylhexanoate
SpectraBase Compound ID 9nhsagQCBCx
InChI InChI=1S/C15H22O2S/c1-13(2)7-6-10-15(16)17-11-12-18-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey KVWYEEYMFHBNRM-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C15H22O2S
Exact Mass 266.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 217M69Am5Zy
Name 2-(Phenylthio)ethyl 5-methylhexanoate
Appearance Light-yellow oil
Carrier Gas Argon
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Exact Mass 266.134051120 u
Formula C15H22O2S
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C15H22O2S/c1-13(2)7-6-10-15(16)17-11-12-18-14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKey KVWYEEYMFHBNRM-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 266.399 g/mol
Quality 194
Reported Formula C15H22O2S
SMILES C1(=CC=CC=C1)SCCOC(CCCC(C)C)=O
SPLASH splash10-000i-2900000000-9e2fcf2d167a37d600a0
Source of Spectrum ACI-61-SM21-6 (DOI: 10.1002/anie.202211939)
Wiley ID 1899580