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3-(methylthio)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyrazole
SpectraBase Compound ID 7rqJ7qkPY3
InChI InChI=1S/C15H18N2O3S/c1-18-12-7-10(8-13(19-2)15(12)20-3)5-6-11-9-14(21-4)17-16-11/h5-9H,1-4H3,(H,16,17)/b6-5+
InChIKey PKRCINHRNJQDMQ-AATRIKPKSA-N
Mol Weight 306.38 g/mol
Molecular Formula C15H18N2O3S
Exact Mass 306.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zR9v5G6iDT
Name 3-(methylthio)-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyrazole
Alternate Name(s) 3-(methylthio)-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-1H-pyrazole 3-methylsulfanyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H-pyrazole 3-methylsulfanyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]-1H-pyrazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O3S
InChI InChI=1S/C15H18N2O3S/c1-18-12-7-10(8-13(19-2)15(12)20-3)5-6-11-9-14(21-4)17-16-11/h5-9H,1-4H3,(H,16,17)/b6-5+
InChIKey PKRCINHRNJQDMQ-AATRIKPKSA-N
Molecular Weight 306.380 g/mol
SMILES [nH]1nc(cc1SC)\C=C\c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-0a4i-0009000000-89611c40b388e0ae9924
Source of Spectrum Y-28-1347-8
Wiley ID 1307856