Analyte Name

1H-1,2,4-Triazole-1-butanoic acid,b-[2-(4-chlorophenyl)ethyl]-b-hydroxy-a,a-dimethyl

CAS Number

1631977-20-2

Molecular Formula

C16H20ClN3O3

Molecular Weight

337.8

Accurate Mass

337.11

SMILES

O=C(O)C(C)(C)C(O)(CN1N=CN=C1)CCC2=CC=C(Cl)C=C2

InChI

InChI=1S/C16H20ClN3O3/c1-15(2,14(21)22)16(23,9-20-11-18-10-19-20)8-7-12-3-5-13(17)6-4-12/h3-6,10-11,23H,7-9H2,1-2H3,(H,21,22)

IUPAC

5-(4-Chlorophenyl)-3-hydroxy-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentanoic Acid

Country of Origin

CANADA

Product Format

Neat