Analyte Name

(alphaR,betaS)-beta-Ethyl-3-methoxy-alpha-methylbenzenepropanoic Acid

CAS Number

1313429-36-5

Molecular Formula

C13H18O3

Molecular Weight

222.28

Accurate Mass

222.13

SMILES

CC[C@@H]([C@@H](C)C(O)=O)C1=CC(OC)=CC=C1

InChI

InChI=1S/C13H18O3/c1-4-12(9(2)13(14)15)10-6-5-7-11(8-10)16-3/h5-9,12H,4H2,1-3H3,(H,14,15)/t9-,12+/m1/s1

IUPAC

(2R,3S)-3-(3-methoxyphenyl)-2-methylpentanoic acid

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat