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1,2,4-Triazine-6-carboxylic acid, 3-[(acetylthio)methyl]-2,3-dihydro-5-methyl-2-phenyl-, methyl ester
SpectraBase Compound ID 9zfhZVrqMYd
InChI InChI=1S/C15H17N3O3S/c1-10-14(15(20)21-3)17-18(12-7-5-4-6-8-12)13(16-10)9-22-11(2)19/h4-8,13H,9H2,1-3H3
InChIKey SZWPCCYNKAXWST-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C15H17N3O3S
Exact Mass 319.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jUZ2BSkYVA
Name 1,2,4-Triazine-6-carboxylic acid, 3-[(acetylthio)methyl]-2,3-dihydro-5-methyl-2-phenyl-, methyl ester
CAS Registry Number 79043-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N3O3S
InChI InChI=1S/C15H17N3O3S/c1-10-14(15(20)21-3)17-18(12-7-5-4-6-8-12)13(16-10)9-22-11(2)19/h4-8,13H,9H2,1-3H3
InChIKey SZWPCCYNKAXWST-UHFFFAOYSA-N
Molecular Weight 319.379 g/mol
SMILES C1(=NN(C(N=C1C)CSC(=O)C)c1ccccc1)C(=O)OC
SPLASH splash10-001i-3290000000-b92496f90abe6a6fcce4
Source of Spectrum K-115-36-0
Synonyms Methyl 3-[(acetylsulfanyl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1,2,4-triazine-6-carboxylate Methyl ester of 3-acetylthiomethyl-2,3-dihydro-5-methyl-2-phenyl-1,2,4-triazin-6-carboxylic acid
Wiley ID 1319224