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4-Phenyl-3-butylthio.delta.2-1,2,4-triazolin-5-one

View entire compound with spectra: 1 MS (GC)

4-Phenyl-3-butylthio.delta.2-1,2,4-triazolin-5-one
SpectraBase Compound ID EYrWogvpdc6
InChI InChI=1S/C12H15N3OS/c1-2-3-9-17-12-14-13-11(16)15(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16)
InChIKey IMTIXMZJVCPQKM-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ceuDMcUrtP
Name 4-Phenyl-3-butylthio.delta.2-1,2,4-triazolin-5-one
Alternate Name(s) 3-Butylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3OS
InChI InChI=1S/C12H15N3OS/c1-2-3-9-17-12-14-13-11(16)15(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,13,16)
InChIKey IMTIXMZJVCPQKM-UHFFFAOYSA-N
Molecular Weight 249.332 g/mol
SMILES N1N=C(N(C1=O)c1ccccc1)SCCCC
SPLASH splash10-0006-0930000000-24be1d962fb922875d04
Source of Spectrum KC-57-2005-5
Wiley ID 1623246