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Bitertanol - acetylated
SpectraBase Compound ID KO9U4NRgmAi
InChI InChI=1S/C22H25N3O3/c1-16(26)27-20(22(2,3)4)21(25-15-23-14-24-25)28-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-15,20-21H,1-4H3
InChIKey CGGYUUDSEQAVBZ-UHFFFAOYSA-N
Mol Weight 379.46 g/mol
Molecular Formula C22H25N3O3
Exact Mass 379.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8faOxa2kWkG
Name Bitertanol - acetylated
Alternate Name(s) 1-[([1,1'-biphenyl]-4-yloxy)(1H-1,2,4-triazol-1-yl)methyl]-2,2-dimethylpropyl acetate
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Formula C22H25N3O3
InChI InChI=1S/C22H25N3O3/c1-16(26)27-20(22(2,3)4)21(25-15-23-14-24-25)28-19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-15,20-21H,1-4H3
InChIKey CGGYUUDSEQAVBZ-UHFFFAOYSA-N
Molecular Weight 379.460 g/mol
SMILES C([n]1ncnc1)(C(OC(=O)C)C(C)(C)C)Oc1ccc(cc1)-c1ccccc1
SPLASH splash10-03di-0960000000-91697e9f5af463ba7055
Source of Spectrum CJ-0-22-3498
Wiley ID 1359344