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Product Overview

Product Code

TRC-B519569

Product Format

Neat

Molecular Formula

C4¹³C12H18O2

Molecular Weight

254.23

Product Categories

TRC, Stable isotopes, Bisphenols (BPAs)

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

77-40-7

Documentation

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Product Information

Chemical Data

Analyte Name

Bisphenol B-13C12

Molecular Formula

C4¹³C12H18O2

Molecular Weight

254.23

Accurate Mass

254.17

SMILES

O[13C]1=[13CH][13CH]=[13C](C(C)([13C]2=[13C]([13C]([H])=[13C]([13C]([H])=[13C]2[H])O)[H])CC)[13CH]=[13CH]1

InChI

InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3/i4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1

IUPAC

4,4'-(butane-2,2-diyl)bis(phenol-13C6)

Unlabelled CAS Number

77-40-7

SIL Type

Carbon

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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