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5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
SpectraBase Compound ID CoYWokHPDl
InChI InChI=1S/C15H21N3O4S/c1-14(2,3)8-7-9(18-17-8)16-11(23-6)10-12(19)21-15(4,5)22-13(10)20/h7H,1-6H3,(H2,16,17,18)
InChIKey APWDUIBDEPXOJT-UHFFFAOYSA-N
Mol Weight 339.41 g/mol
Molecular Formula C15H21N3O4S
Exact Mass 339.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TAYR58yxVb
Name 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21N3O4S
InChI InChI=1S/C15H21N3O4S/c1-14(2,3)8-7-9(18-17-8)16-11(23-6)10-12(19)21-15(4,5)22-13(10)20/h7H,1-6H3,(H2,16,17,18)
InChIKey APWDUIBDEPXOJT-UHFFFAOYSA-N
Molecular Weight 339.410 g/mol
SMILES N(c1n[nH]c(c1)C(C)(C)C)C(=C1C(OC(OC1=O)(C)C)=O)SC
SPLASH splash10-01vx-0390000000-f137fae7b8cfc3561c63
Source of Spectrum KC-0-1804-32
Synonyms 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-(methylthio)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-methylsulfanyl-methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 5-[[(5-tert-butyl-1H-pyrazol-3-yl)amino]-methylsulfanylmethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Wiley ID 822644