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Carbamothioic acid, N-(4-cyanophenyl)-, S-ethyl ester
SpectraBase Compound ID 7wMMDY3oDdm
InChI InChI=1S/C10H10N2OS/c1-2-14-10(13)12-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3,(H,12,13)
InChIKey ZNJBNVAWXFUIRA-UHFFFAOYSA-N
Mol Weight 206.26 g/mol
Molecular Formula C10H10N2OS
Exact Mass 206.051384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cw77rsskfpI
Name Carbamothioic acid, N-(4-cyanophenyl)-, S-ethyl ester
Alternate Name(s) S-ethyl (4-cyanophenyl)carbamothioate N-(4-cyanophenyl)carbamothioic acid S-ethyl ester S-ethyl N-(4-cyanophenyl)carbamothioate
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Formula C10H10N2OS
InChI InChI=1S/C10H10N2OS/c1-2-14-10(13)12-9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3,(H,12,13)
InChIKey ZNJBNVAWXFUIRA-UHFFFAOYSA-N
Molecular Weight 206.263 g/mol
SMILES N(C(SCC)=O)c1ccc(C#N)cc1
SPLASH splash10-002f-9600000000-6775ceaf8fcd882874dd
Source of Spectrum JX-2015-5-817
Wiley ID 1727567