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3-(3-Methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl)propanoic acid

View entire compound with spectra: 1 MS (GC)

3-(3-Methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl)propanoic acid
SpectraBase Compound ID JgKaQOMtaJy
InChI InChI=1S/C12H15N3O2S/c1-12(8-7-10(16)17)13-11(18)15(14-12)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,13,18)(H,16,17)
InChIKey DRFMFHJHXWISLA-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C12H15N3O2S
Exact Mass 265.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwxFWoCRaIw
Name 3-(3-Methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl)propanoic acid
Alternate Name(s) 3-(3-Methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-yl)propanoic acid 3-(3-Methyl-1-phenyl-5-thioxo-1,2,4-triazolidin-3-yl)propionic acid
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Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-12(8-7-10(16)17)13-11(18)15(14-12)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,13,18)(H,16,17)
InChIKey DRFMFHJHXWISLA-UHFFFAOYSA-N
Molecular Weight 265.331 g/mol
SMILES N1C(CCC(=O)O)(NC(N1c1ccccc1)=S)C
SPLASH splash10-052f-9520000000-5bab9b0c7fc3359b09ed
Wiley ID 1466348