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3-(dimethylcarbamoylthio)naphthalene-2-carboxylic acid ethyl ester
SpectraBase Compound ID 5fw9Tx9uOhm
InChI InChI=1S/C16H17NO3S/c1-4-20-15(18)13-9-11-7-5-6-8-12(11)10-14(13)21-16(19)17(2)3/h5-10H,4H2,1-3H3
InChIKey JMPGQPJGZNVEDD-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C16H17NO3S
Exact Mass 303.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BfOuYM52BY
Name 3-(dimethylcarbamoylthio)naphthalene-2-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C16H17NO3S
InChI InChI=1S/C16H17NO3S/c1-4-20-15(18)13-9-11-7-5-6-8-12(11)10-14(13)21-16(19)17(2)3/h5-10H,4H2,1-3H3
InChIKey JMPGQPJGZNVEDD-UHFFFAOYSA-N
Molecular Weight 303.376 g/mol
SMILES c1c(c(cc2ccccc12)SC(N(C)C)=O)C(=O)OCC
SPLASH splash10-00di-9003000000-38c2f0e9da1f1828fcc4
Source of Spectrum U-1995-2224-14
Synonyms 3-[[dimethylamino(oxo)methyl]thio]-2-naphthalenecarboxylic acid ethyl ester ethyl 3-(dimethylcarbamoylsulfanyl)naphthalene-2-carboxylate
Wiley ID 767805