Analyte Name

rel-(aR,cis)-Metconazole

CAS Number

153208-75-4

Molecular Formula

C17H22ClN3O2

Molecular Weight

335.83

Accurate Mass

335.14

SMILES

O[C@@]1([C@](CCC1(C)C)([H])[C@H](C2=CC=C(C=C2)Cl)O)CN3C=NC=N3

InChI

InChI=1S/C17H22ClN3O2/c1-16(2)8-7-14(15(22)12-3-5-13(18)6-4-12)17(16,23)9-21-11-19-10-20-21/h3-6,10-11,14-15,22-23H,7-9H2,1-2H3/t14-,15-,17+/m0/s1

IUPAC

(1R,5S)-1-((1H-1,2,4-Triazol-1-yl)methyl)-5-((R)-(4-chlorophenyl)(hydroxy)methyl)-2,2-dimethylcyclopentan-1-ol

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat