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Tebuconazole
SpectraBase Compound ID Cox3idFsqzY
InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKey PXMNMQRDXWABCY-UHFFFAOYSA-N
Mol Weight 307.83 g/mol
Molecular Formula C16H22ClN3O
Exact Mass 307.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7O1tkgb1S3
Name Tebuconazole
Source of Sample Sigma-Aldrich Cat. #32013
CAS Registry Number 107534-96-3
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 307.145140039 u
Formula C16H22ClN3O
InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
InChIKey PXMNMQRDXWABCY-UHFFFAOYSA-N
Molecular Weight 307.825 g/mol
Number of Peaks 50
RI1 2376
SMILES OC(C[n]1cncn1)(C(C)(C)C)CCc1ccc(cc1)Cl
SPLASH splash10-0fh9-9410000000-9b72539a81cdd880dba6
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, alpha-[2-(4-chlorophenyl)ethyl]-alpha-(1,1-dimethylethyl)-
Wiley ID LM_PEST_185