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Cyproconazole isomer I
SpectraBase Compound ID KvzK2HMDxjb
InChI InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15-/m1/s1
InChIKey UFNOUKDBUJZYDE-IAQYHMDHSA-N
Mol Weight 291.78 g/mol
Molecular Formula C15H18ClN3O
Exact Mass 291.11384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 972AL89XirY
Name Cyproconazole isomer I
Source of Sample Sigma-Aldrich Cat. #46068
CAS Registry Number 107864-90-4
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 291.113839911 u
Formula C15H18ClN3O
InChI InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3/t11-,15-/m1/s1
InChIKey UFNOUKDBUJZYDE-IAQYHMDHSA-N
Molecular Weight 291.782 g/mol
Number of Peaks 233
RI1 2216
SMILES O[C@](C[n]1ncnc1)([C@](C)(C1CC1)[H])c1ccc(cc1)Cl
SPLASH splash10-00ei-7960000000-792897fa336ea869bd03
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, a-(4-chlorophenyl)-a-(1-cyclopropylethyl)-, (R*,R*)- (9CI)
Wiley ID LM_PEST_832