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3-Pyridazinecarbonitrile, 5-[(benzoyloxy)phenylmethyl]-6-methyl-
SpectraBase Compound ID ISShEHLW7or
InChI InChI=1S/C20H15N3O2/c1-14-18(12-17(13-21)23-22-14)19(15-8-4-2-5-9-15)25-20(24)16-10-6-3-7-11-16/h2-12,19H,1H3
InChIKey IJQOLRQPMVVWBC-UHFFFAOYSA-N
Mol Weight 329.36 g/mol
Molecular Formula C20H15N3O2
Exact Mass 329.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSnzT5dunNL
Name 3-Pyridazinecarbonitrile, 5-[(benzoyloxy)phenylmethyl]-6-methyl-
Alternate Name(s) (6-cyano-3-methyl-4-pyridazinyl)(phenyl)methyl benzoate 3-Methyl-4-phenylcarnoxyphenylmethyl-6-cyano-1,2-diazine benzoic acid[(6-cyano-3-methyl-4-pyridazinyl)-phenylmethyl]ester benzoic acid[(6-cyano-3-methyl-pyridazin-4-yl)-phenyl-methyl]ester [(6-cyano-3-methyl-pyridazin-4-yl)-phenyl-methyl]benzoate benzoic acid [(6-cyano-3-methyl-4-pyridazinyl)-phenylmethyl] ester [(6-cyano-3-methylpyridazin-4-yl)-phenylmethyl] benzoate [(6-cyano-3-methyl-pyridazin-4-yl)-phenyl-methyl] benzoate
CAS Registry Number 106584-53-6
Comments Less than 3 mono-isotopic peaks
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Formula C20H15N3O2
InChI InChI=1S/C20H15N3O2/c1-14-18(12-17(13-21)23-22-14)19(15-8-4-2-5-9-15)25-20(24)16-10-6-3-7-11-16/h2-12,19H,1H3
InChIKey IJQOLRQPMVVWBC-UHFFFAOYSA-N
Molecular Weight 329.359 g/mol
SMILES c1(C(OC(=O)c2ccccc2)c2ccccc2)c(nnc(C#N)c1)C
SPLASH splash10-0a4i-0900000000-8cd2d59f6fcf5fac04a9
Source of Spectrum Y-22-1545-8
Wiley ID 1327210