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5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)pyrazole

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5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)pyrazole
SpectraBase Compound ID Jew1eabaI90
InChI InChI=1S/C15H14N2O2S/c1-20-15-9-12(16-17-15)5-3-2-4-11-6-7-13-14(8-11)19-10-18-13/h2-9H,10H2,1H3,(H,16,17)/b4-2-,5-3-
InChIKey ZAEPACIOUTZRPJ-JVLMNHKTSA-N
Mol Weight 286.35 g/mol
Molecular Formula C15H14N2O2S
Exact Mass 286.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3DAEdXoGpt
Name 5-Methylthio-3-(4-(3,4-methylenedioxyphenyl)-1,3-butadienyl)pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.077598871 u
Formula C15H14N2O2S
InChI InChI=1S/C15H14N2O2S/c1-20-15-9-12(16-17-15)5-3-2-4-11-6-7-13-14(8-11)19-10-18-13/h2-9H,10H2,1H3,(H,16,17)/b4-2-,5-3-
InChIKey ZAEPACIOUTZRPJ-JVLMNHKTSA-N
Molecular Weight 286.349 g/mol
SMILES C=1(NN=C(C1)\C=C/C=C\C=1C=C2OCOC2=CC1)SC