Analyte Name

Bisphenol A bis(2-hydroxypropyl) ether-13C12

Molecular Formula

13C12 C9 H20 O4

Molecular Weight

348.293

Accurate Mass

348.176

SMILES

CC(O)CO[13c]1[13c][13c][13c]([13c][13c]1)C(C)(C)[13c]2[13c][13c][13c](OCC(C)O)[13c][13c]2

InChI

InChI=1S/C21H20O4/c1-15(22)13-24-19-9-5-17(6-10-19)21(3,4)18-7-11-20(12-8-18)25-14-16(2)23/h15-16,22-23H,13-14H2,1-4H3/i5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,17+1,18+1,19+1,20+1

IUPAC

1-[4-[2-[4-(2-hydroxypropoxy)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]propan-2-yl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]oxypropan-2-ol

Unlabelled CAS Number

116-37-0

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat