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4-[(phenylcarbamothioylamino)methyl]benzoic acid
SpectraBase Compound ID HrqLzPrubQM
InChI InChI=1S/C15H14N2O2S/c18-14(19)12-8-6-11(7-9-12)10-16-15(20)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKey ALCIWUZRFUTUMI-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C15H14N2O2S
Exact Mass 286.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3OSoIkVwWm
Name 4-[(phenylcarbamothioylamino)methyl]benzoic acid
Alternate Name(s) 4-[(phenylthiocarbamoylamino)methyl]benzoic acid 4-[[[anilino(sulfanylidene)methyl]amino]methyl]benzoic acid
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Formula C15H14N2O2S
InChI InChI=1S/C15H14N2O2S/c18-14(19)12-8-6-11(7-9-12)10-16-15(20)17-13-4-2-1-3-5-13/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKey ALCIWUZRFUTUMI-UHFFFAOYSA-N
Molecular Weight 286.349 g/mol
SMILES N(C(=S)NCc1ccc(C(=O)O)cc1)c1ccccc1
SPLASH splash10-000i-8930000000-4180ddb24e4465d8a88a
Wiley ID 1450439