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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 2o7a6HmPYCt
Name 8-(Phenylcarbamoylthio)caprylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 309.424 g/mol
SMILES N(c1ccccc1)C(=O)SCCCCCCCC(=O)OC
SPLASH splash10-06dl-9400000000-51fcdbb572593bc58496
Synonyms 8-[[anilino(oxo)methyl]thio]octanoic acid methyl ester Methyl 8-(phenylcarbamoylsulfanyl)octanoate Methyl 8-[(anilinocarbonyl)sulfanyl]octanoate N-Phenylcarbamic acid, S-8-methoxy-8-oxooctyl ester
Wiley ID 1485907