4-(3',6'-Dimethyl-3'-heptyl)phenol-13C6

Analyte Name

4-(1-Ethyl-1,4-dimethylpentyl)-phenol 13C6

CAS Number

1173020-38-6

Molecular Formula

13C6 C9 H24 O

Molecular Weight

226.31

Accurate Mass

226.2028

SMILES

CCC(C)(CCC(C)C)[13c]1[13cH][13cH][13c](O)[13cH][13cH]1

InChI

InChI=1S/C15H24O/c1-5-15(4,11-10-12(2)3)13-6-8-14(16)9-7-13/h6-9,12,16H,5,10-11H2,1-4H3/i6+1,7+1,8+1,9+1,13+1,14+1

IUPAC

4-(3,6-dimethylheptan-3-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-ol

Unlabelled CAS Number

142731-63-3

SIL Type

Carbon

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat