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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 307.82 g/mol
Molecular Formula C16H22ClN3O
Exact Mass 307.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZFlJOo5lbM
Name Tebuconazole
CAS Registry Number 107534-96-3
Classification Fungicide
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 307.825 g/mol
Nominal Mass 307 u
Quality 874
Retention Index 2404
SMILES OC(C(C)(C)C)(CN1N=CN=C1)CCC=1C=CC(=CC1)Cl
SPLASH splash10-0fc0-8930000000-4e04e25ae7b071138ad3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Technique GC/MS
Wiley ID DD2024_021663