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3-Acetyl-5-(2-methylthioethyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazin-6-one
SpectraBase Compound ID H3Pl8GNAuOy
InChI InChI=1S/C14H17N3O2S/c1-10(18)13-15-12(8-9-20-2)14(19)17(16-13)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,16)
InChIKey MWDHGHGWUJIGSM-UHFFFAOYSA-N
Mol Weight 291.37 g/mol
Molecular Formula C14H17N3O2S
Exact Mass 291.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vymE7nIoXo
Name 3-ACETYL-5-(2-METHYLSULFANYLETHYL)-1-PHENYL-4,5-DIHYDRO-1H-[1,2,4]TRIAZIN-6-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H17N3O2S
InChI InChI=1S/C14H17N3O2S/c1-10(18)13-15-12(8-9-20-2)14(19)17(16-13)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,16)
InChIKey MWDHGHGWUJIGSM-UHFFFAOYSA-N
Molecular Weight 291.1038
SMILES N1C(C(N(N=C1C(C)=O)c1ccccc1)=O)CCSC
SPLASH splash10-0006-9340000000-ebc0ccd6302880ec9edd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany