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1-[2-(chloromethyl)benzyl]-3-pyrazolin-3-one
SpectraBase Compound ID D5tJoniO43C
InChI InChI=1S/C11H11ClN2O/c12-7-9-3-1-2-4-10(9)8-14-6-5-11(15)13-14/h1-6H,7-8H2,(H,13,15)
InChIKey OKPARZIHNOHJAZ-UHFFFAOYSA-N
Mol Weight 222.67 g/mol
Molecular Formula C11H11ClN2O
Exact Mass 222.055991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47gK90SH8e9
Name 1-[2-(chloromethyl)benzyl]-3-pyrazolin-3-one
Alternate Name(s) 2-[[2-(chloromethyl)phenyl]methyl]-1H-pyrazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClN2O
InChI InChI=1S/C11H11ClN2O/c12-7-9-3-1-2-4-10(9)8-14-6-5-11(15)13-14/h1-6H,7-8H2,(H,13,15)
InChIKey OKPARZIHNOHJAZ-UHFFFAOYSA-N
Molecular Weight 222.675 g/mol
SMILES Oc1cc[n](n1)Cc1c(CCl)cccc1
SPLASH splash10-0f79-0900000000-5c5214595f4a8547d6ed
Source of Spectrum U-1995-823-23
Wiley ID 766718