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2-[2-(benzylthio)tetrahydropyran-2-yl]acetic acid ethyl ester
SpectraBase Compound ID FyofE2dtlT
InChI InChI=1S/C16H22O3S/c1-2-18-15(17)12-16(10-6-7-11-19-16)20-13-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
InChIKey AAFNJAANQFHZMQ-UHFFFAOYSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0e9fXKoyEp
Name 2-[2-(benzylthio)tetrahydropyran-2-yl]acetic acid ethyl ester
Alternate Name(s) 2-[2-(phenylmethylthio)-2-oxanyl]acetic acid ethyl ester Ethyl 2-(2-benzylsulfanyloxan-2-yl)acetate Ethyl 2-(2-benzylsulfanyltetrahydropyran-2-yl)acetate Ethyl 2-[2-(phenylmethylsulfanyl)oxan-2-yl]ethanoate
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Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-2-18-15(17)12-16(10-6-7-11-19-16)20-13-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
InChIKey AAFNJAANQFHZMQ-UHFFFAOYSA-N
Molecular Weight 294.409 g/mol
SMILES C1(CC(=O)OCC)(SCc2ccccc2)OCCCC1
SPLASH splash10-00dl-9500000000-0758e5000b7ae0cf9290
Source of Spectrum AJ-63-1907-3
Wiley ID 1297102