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4-[1-(4'-Methoxyphenyl)propyl]amino-3-mercapto-6-methyl-4H-1,2,4-triazin-5-one
SpectraBase Compound ID Ju5GLkyrKel
InChI InChI=1S/C14H18N4O2S/c1-4-12(10-5-7-11(20-3)8-6-10)17-18-13(19)9(2)15-16-14(18)21/h5-8,12,17H,4H2,1-3H3,(H,16,21)
InChIKey LPNCZOVCIGSELU-UHFFFAOYSA-N
Mol Weight 306.38 g/mol
Molecular Formula C14H18N4O2S
Exact Mass 306.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGQEA0QFIjy
Name 4-[1-(4'-Methoxyphenyl)propyl]amino-3-mercapto-6-methyl-4H-1,2,4-triazin-5-one
Alternate Name(s) 4-{[1-(4-methoxyphenyl)propyl]amino}-6-methyl-3-sulfanyl-1,2,4-triazin-5(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N4O2S
InChI InChI=1S/C14H18N4O2S/c1-4-12(10-5-7-11(20-3)8-6-10)17-18-13(19)9(2)15-16-14(18)21/h5-8,12,17H,4H2,1-3H3,(H,16,21)
InChIKey LPNCZOVCIGSELU-UHFFFAOYSA-N
Molecular Weight 306.384 g/mol
SMILES N(N1C(C(=NN=C1S)C)=O)C(CC)c1ccc(cc1)OC
SPLASH splash10-052b-0921000000-92a8d1a0b052d8190a4e
Source of Spectrum QC-17-2622-4
Wiley ID 1638545