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Bitertanol
SpectraBase Compound ID 7IlACdlNTMk
InChI InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChIKey VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Mol Weight 337.42 g/mol
Molecular Formula C20H23N3O2
Exact Mass 337.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GI2xPajQnj5
Name Bitertanol
Source of Sample Sigma-Aldrich Cat. #45349
CAS Registry Number 55179-31-2
Classification Pesticides: Fungicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 337.179026991 u
Formula C20H23N3O2
InChI InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChIKey VGPIBGGRCVEHQZ-UHFFFAOYSA-N
Molecular Weight 337.423 g/mol
Number of Peaks 219
RI1 2678
SMILES OC(C([n]1cncn1)Oc1ccc(cc1)-c1ccccc1)C(C)(C)C
SPLASH splash10-00di-2900000000-aa7f9bf57fe4e6b68d2f
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1H-1,2,4-Triazole-1-ethanol, beta-([1,1'-biphenyl]-4-yloxy)-alfa-(1,1-dimethylethyl)-
Wiley ID LM_PEST_28