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5-Ethoxycarbonyl-5-methyl-2-phenyl[1,2,4]triazolidine-3-thione
SpectraBase Compound ID 8PMCFj8V9mR
InChI InChI=1S/C12H15N3O2S/c1-3-17-10(16)12(2)13-11(18)15(14-12)9-7-5-4-6-8-9/h4-8,14H,3H2,1-2H3,(H,13,18)
InChIKey IQRCMENNBKYRNM-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 KwzwkCgqV8N
Name 5-Ethoxycarbonyl-5-methyl-2-phenyl[1,2,4]triazolidine-3-thione
Alternate Name(s) Ethyl 3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2S
InChI InChI=1S/C12H15N3O2S/c1-3-17-10(16)12(2)13-11(18)15(14-12)9-7-5-4-6-8-9/h4-8,14H,3H2,1-2H3,(H,13,18)
InChIKey IQRCMENNBKYRNM-UHFFFAOYSA-N
Molecular Weight 265.331 g/mol
SMILES N1C(N(NC1(C(=O)OCC)C)c1ccccc1)=S
SPLASH splash10-002f-8900000000-a4a060b1fa0b5a0df5c0
Source of Spectrum H1-50-255-3
Wiley ID 816807