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Cyproconazole isomer II
SpectraBase Compound ID Ceew0Hv9Fr9
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+/m0/s1
InChIKey UFNOUKDBUJZYDE-XHDPSFHLSA-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 HqQVRwJZoWm
Name Cyproconazole isomer II
Source of Sample Sigma-Aldrich Cat. #46068
CAS Registry Number 94361-07-6
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+/m0/s1
InChIKey UFNOUKDBUJZYDE-XHDPSFHLSA-N
Molecular Weight 291.782 g/mol
Number of Peaks 222
RI1 2219
SMILES O[C@](C[n]1ncnc1)([C@@](C)(C1CC1)[H])c1ccc(cc1)Cl
SPLASH splash10-00di-7970000000-6890942ac7f3facf603c
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-[(1R)-1-cyclopropylethyl]-, (aS)-rel-
Wiley ID LM_PEST_833