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SpectraBase Compound ID | LqWArEzVETq |
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InChI | InChI=1S/C16H13ClN2O2/c1-21-12-5-2-10(3-6-12)14-9-15(19-18-14)13-8-11(17)4-7-16(13)20/h2-9,20H,1H3,(H,18,19) |
InChIKey | ZKDKXGDQMJMUTD-UHFFFAOYSA-N |
Mol Weight | 300.74 g/mol |
Molecular Formula | C16H13ClN2O2 |
Exact Mass | 300.066555 g/mol |
SpectraBase Spectrum ID | 603AZ9Lb2Mr |
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Name | 4-Chloro-2-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]phenol |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 300.066555365 u |
Formula | C16H13ClN2O2 |
InChI | InChI=1S/C16H13ClN2O2/c1-21-12-5-2-10(3-6-12)14-9-15(19-18-14)13-8-11(17)4-7-16(13)20/h2-9,20H,1H3,(H,18,19) |
InChIKey | ZKDKXGDQMJMUTD-UHFFFAOYSA-N |
Molecular Weight | 300.745 g/mol |
SMILES | N1C(=CC(C2=C(C=CC(=C2)Cl)O)=N1)C=1C=CC(=CC1)OC |