Analyte Name

(alphaS,1S,3S,4R)-alpha,4-Dimethyl-2-oxo-3-(3-oxobutyl)-Cyclohexane Acetaldehyde

CAS Number

958447-29-5

Molecular Formula

C14 H22 O3

Molecular Weight

238.323

Accurate Mass

238.157

SMILES

C[C@H](C=O)[C@@H]1CC[C@@H](C)[C@H](CCC(=O)C)C1=O

InChI

InChI=1S/C14H22O3/c1-9-4-6-13(10(2)8-15)14(17)12(9)7-5-11(3)16/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12+,13+/m1/s1

IUPAC

(2S)-2-[(1S,3S,4R)-4-methyl-2-oxo-3-(3-oxobutyl)cyclohexyl]propanal

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat