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5-Chloranyl-1,3-dimethyl-4-[(E)-2-methylsulfinylethenyl]pyrazole
SpectraBase Compound ID FS8tDx6p2HQ
InChI InChI=1S/C8H11ClN2OS/c1-6-7(4-5-13(3)12)8(9)11(2)10-6/h4-5H,1-3H3/b5-4+
InChIKey HLWHVYVHUQXZJY-SNAWJCMRSA-N
Mol Weight 218.7 g/mol
Molecular Formula C8H11ClN2OS
Exact Mass 218.028062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtjVd4EtALX
Name 5-Chloranyl-1,3-dimethyl-4-[(E)-2-methylsulfinylethenyl]pyrazole
Alternate Name(s) 5-Chloro-1,3-dimethyl-4-[(E)-2-methylsulfinylethenyl]pyrazole 5-Chloro-1,3-dimethyl-4-[(E)-2-methylsulfinylvinyl]pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11ClN2OS
InChI InChI=1S/C8H11ClN2OS/c1-6-7(4-5-13(3)12)8(9)11(2)10-6/h4-5H,1-3H3/b5-4+
InChIKey HLWHVYVHUQXZJY-SNAWJCMRSA-N
Molecular Weight 218.702 g/mol
SMILES c1(c([n](C)nc1C)Cl)\C=C\S(=O)C
SPLASH splash10-0uxr-0970000000-fefa0fcadb4b2d2b3fb4
Source of Spectrum MZ-34-1544-28
Wiley ID 1582237