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3-[1'(1'H)-Phenylmethylpyrazol-5'-yl]benzo[5,6]coumarin
SpectraBase Compound ID HJQ3g8Rb3MU
InChI InChI=1S/C23H16N2O2/c26-23-20(21-12-13-24-25(21)15-16-6-2-1-3-7-16)14-19-18-9-5-4-8-17(18)10-11-22(19)27-23/h1-14H,15H2
InChIKey DHUBVRFRTDQOLZ-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C23H16N2O2
Exact Mass 352.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvxeQmwA1Av
Name 3-[1'(1'H)-Phenylmethylpyrazol-5'-yl]benzo[5,6]coumarin
Alternate Name(s) 2-(1-benzyl-1H-pyrazol-5-yl)-3H-benzo[f]chromen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16N2O2
InChI InChI=1S/C23H16N2O2/c26-23-20(21-12-13-24-25(21)15-16-6-2-1-3-7-16)14-19-18-9-5-4-8-17(18)10-11-22(19)27-23/h1-14H,15H2
InChIKey DHUBVRFRTDQOLZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20020200709
Molecular Weight 352.393 g/mol
SMILES c1c2c(cccc2)c2c(OC(C(=C2)c2ccn[n]2Cc2ccccc2)=O)c1
SPLASH splash10-00di-9221000000-f5c67f00798959699232
Source of Spectrum CJC-20-672-5a
Wiley ID 1773661