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N-Phenyl 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanamide
SpectraBase Compound ID 7bbJb3kVF5W
InChI InChI=1S/C13H15N5O2S/c1-8(19)11(21-13-17-16-9(2)18(13)14)12(20)15-10-6-4-3-5-7-10/h3-7,11H,14H2,1-2H3,(H,15,20)
InChIKey DNRMHVMWNYRXCO-UHFFFAOYSA-N
Mol Weight 305.36 g/mol
Molecular Formula C13H15N5O2S
Exact Mass 305.094646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSccUf2ktnj
Name N-Phenyl 2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-oxobutanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N5O2S
InChI InChI=1S/C13H15N5O2S/c1-8(19)11(21-13-17-16-9(2)18(13)14)12(20)15-10-6-4-3-5-7-10/h3-7,11H,14H2,1-2H3,(H,15,20)
InChIKey DNRMHVMWNYRXCO-UHFFFAOYSA-N
Instrument Name GCMS-Q1000-EX Shimadzu/GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.b06
Molecular Weight 305.356 g/mol
SMILES N(c1ccccc1)C(C(Sc1[n](c(nn1)C)N)C(C)=O)=O
SPLASH splash10-0ab9-0639000000-086fa02f218d2c574cea
Source of Spectrum ARK-2009-64-6b
Wiley ID 1866516