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4-CHLORO-3,5-DIMETHOXY-1-BENZYLPYRAZOLE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-CHLORO-3,5-DIMETHOXY-1-BENZYLPYRAZOLE
SpectraBase Compound ID BVqsiFIoMXQ
InChI InChI=1S/C12H13ClN2O2/c1-16-11-10(13)12(17-2)15(14-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey XEMKXWKZPXVZIF-UHFFFAOYSA-N
Mol Weight 252.7 g/mol
Molecular Formula C12H13ClN2O2
Exact Mass 252.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39ipguMsSNO
Name 1-Benzyl-4-chloro-3,5-dimethoxy-pyrazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClN2O2
InChI InChI=1S/C12H13ClN2O2/c1-16-11-10(13)12(17-2)15(14-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey XEMKXWKZPXVZIF-UHFFFAOYSA-N
Molecular Weight 252.701 g/mol
SMILES c1([n](nc(c1Cl)OC)Cc1ccccc1)OC
SPLASH splash10-0f6x-8090000000-dd766db49d5cf13cbf0c
Source of Spectrum Y-32-1353-4
Synonyms 4-Chloranyl-3,5-dimethoxy-1-(phenylmethyl)pyrazole 4-Chloro-3,5-dimethoxy-1-(phenylmethyl)pyrazole
Wiley ID 1255201