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1-[3'-(2"-Thiazolamino)-3'-oxopropane]-4-phenylthio-semicarbazide
SpectraBase Compound ID 1amqaifpf1N
InChI InChI=1S/C13H13N5O2S2/c19-10(16-13-14-6-7-22-13)8-11(20)17-18-12(21)15-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)(H,14,16,19)(H2,15,18,21)
InChIKey RSJYQVAOCOQSKH-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C13H13N5O2S2
Exact Mass 335.051067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoFeMa2Whp6
Name 1-[3'-(2"-Thiazolamino)-3'-oxopropane]-4-phenylthio-semicarbazide
Alternate Name(s) 3-[[anilino(sulfanylidene)methyl]hydrazo]-3-oxo-N-(2-thiazolyl)propanamide 3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]-N-(1,3-thiazol-2-yl)propanamide 3-oxo-3-[2-(phenylcarbamothioyl)hydrazino]-N-thiazol-2-yl-propanamide 3-oxidanylidene-3-[2-(phenylcarbamothioyl)hydrazinyl]-N-(1,3-thiazol-2-yl)propanamide
Comments Less than 3 mono-isotopic peaks
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Formula C13H13N5O2S2
InChI InChI=1S/C13H13N5O2S2/c19-10(16-13-14-6-7-22-13)8-11(20)17-18-12(21)15-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,20)(H,14,16,19)(H2,15,18,21)
InChIKey RSJYQVAOCOQSKH-UHFFFAOYSA-N
Molecular Weight 335.400 g/mol
SMILES N(c1nccs1)C(CC(NNC(Nc1ccccc1)=S)=O)=O
SPLASH splash10-0002-0900000000-82a0aded86e795f8300d
Source of Spectrum AH-139-1087-4
Wiley ID 1695747