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5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(methylthio)-1H-pyrazole
SpectraBase Compound ID LLuxyDWQnFO
InChI InChI=1S/C13H12N2O2S/c1-18-13-7-10(14-15-13)4-2-9-3-5-11-12(6-9)17-8-16-11/h2-7H,8H2,1H3,(H,14,15)/b4-2+
InChIKey QMBFOKQOBHOZSX-DUXPYHPUSA-N
Mol Weight 260.31 g/mol
Molecular Formula C13H12N2O2S
Exact Mass 260.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B42FyKCNWqT
Name 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(methylthio)-1H-pyrazole
Alternate Name(s) 5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methylsulfanyl-1H-pyrazole 5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(methylthio)-1H-pyrazole 5-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-methylsulfanyl-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O2S
InChI InChI=1S/C13H12N2O2S/c1-18-13-7-10(14-15-13)4-2-9-3-5-11-12(6-9)17-8-16-11/h2-7H,8H2,1H3,(H,14,15)/b4-2+
InChIKey QMBFOKQOBHOZSX-DUXPYHPUSA-N
Molecular Weight 260.311 g/mol
SMILES [nH]1nc(cc1SC)\C=C\c1cc2OCOc2cc1
SPLASH splash10-03di-0090000000-af9a3731b89609b5bfcb
Source of Spectrum Y-28-1347-8
Wiley ID 1263494