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Benzoic acid, 3-(4-chloro-1-pyrazolylmethyl)-
SpectraBase Compound ID BWBC36KMPp2
InChI InChI=1S/C11H9ClN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKey AOAWWPBKFRBPEP-UHFFFAOYSA-N
Mol Weight 236.66 g/mol
Molecular Formula C11H9ClN2O2
Exact Mass 236.035255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6G6OzcQEtgX
Name Benzoic acid, 3-(4-chloro-1-pyrazolylmethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9ClN2O2
InChI InChI=1S/C11H9ClN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKey AOAWWPBKFRBPEP-UHFFFAOYSA-N
Molecular Weight 236.658 g/mol
SMILES OC(c1cc(C[n]2ncc(c2)Cl)ccc1)=O
SPLASH splash10-000i-8960000000-93d8720e8c7b001ba81a
Source of Spectrum AD-0-2532-0
Synonyms 3-[(4-chloranylpyrazol-1-yl)methyl]benzoic acid 3-[(4-chloro-1-pyrazolyl)methyl]benzoic acid 3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid 3-[(4-chloropyrazol-1-yl)methyl]benzoic acid
Wiley ID 1433941