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8-(Phenylcarbamoylthio)caprylic acid methyl ester

View entire compound with spectra: 2 MS (GC)

8-(Phenylcarbamoylthio)caprylic acid methyl ester
SpectraBase Compound ID EtE1odPlPbg
InChI InChI=1S/C16H23NO3S/c1-20-15(18)12-8-3-2-4-9-13-21-16(19)17-14-10-6-5-7-11-14/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,17,19)
InChIKey MSFGDKQLBGNLMU-UHFFFAOYSA-N
Mol Weight 309.42 g/mol
Molecular Formula C16H23NO3S
Exact Mass 309.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UD5klwiZ5E
Name
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Formula C16H23NO3S
InChI InChI=1S/C16H23NO3S/c1-20-15(18)12-8-3-2-4-9-13-21-16(19)17-14-10-6-5-7-11-14/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,17,19)
InChIKey MSFGDKQLBGNLMU-UHFFFAOYSA-N
Molecular Weight 309.1393
SMILES N(C(SCCCCCCCC(OC)=O)=O)c1ccccc1
SPLASH splash10-06dl-9400000000-8c0330aa009adf175df0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany