Dimethyl tetrabromobisphenol a

Analyte Name

Dimethyl Tetrabromobisphenol A (Ring-13C12)

Molecular Formula

13C12 C5 H16 Br4 O2

Molecular Weight

583.84

Concentration

100 µg/mL

Accurate Mass

579.8286

SMILES

CO[13c]1[13c](Br)[13cH][13c]([13cH][13c]1Br)C(C)(C)[13c]2[13cH][13c](Br)[13c](OC)[13c](Br)[13cH]2

InChI

InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3/i5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1

IUPAC

1,3-dibromo-5-[1-(3,5-dibromo-4-methoxy-(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)-1-methyl-ethyl]-2-methoxy-(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene

SIL Type

Carbon

Storage Temperature

+20°C

Shipping Temperature

+20°C

Country of Origin

UNITED STATES

Product Format

Single Solution

Matrix

Toluene