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(2-Chloro-4-nitrophenyl)thiocarbamic acid, S-benzyl ester
SpectraBase Compound ID 3g1vYIKyhPr
InChI InChI=1S/C14H11ClN2O3S/c15-12-8-11(17(19)20)6-7-13(12)16-14(18)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKey AJYBJZOWIKIQIF-UHFFFAOYSA-N
Mol Weight 322.77 g/mol
Molecular Formula C14H11ClN2O3S
Exact Mass 322.017891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lluvoacq8e
Name (2-Chloro-4-nitrophenyl)thiocarbamic acid, S-benzyl ester
Alternate Name(s) N-(2-chloro-4-nitro-phenyl)thiocarbamic acid S-benzyl ester N-(2-chloro-4-nitrophenyl)carbamothioic acid S-(phenylmethyl) ester S-(phenylmethyl) N-(2-chloranyl-4-nitro-phenyl)carbamothioate S-benzyl N-(2-chloro-4-nitro-phenyl)carbamothioate
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Formula C14H11ClN2O3S
InChI InChI=1S/C14H11ClN2O3S/c15-12-8-11(17(19)20)6-7-13(12)16-14(18)21-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKey AJYBJZOWIKIQIF-UHFFFAOYSA-N
Molecular Weight 322.766 g/mol
SMILES N(C(SCc1ccccc1)=O)c1ccc(N(=O)=O)cc1Cl
SPLASH splash10-0006-9100000000-83d988c74a2995f24686
Wiley ID 1437575