Analyte Name

Antioxidant 1098-d12

CAS Number

2733388-41-3

Molecular Formula

C40 D12 H52 N2 O4

Molecular Weight

649.021

Accurate Mass

648.562

SMILES

[2H]C([2H])(NC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)/i13D2,14D2,15D2,16D2,21D2,22D2

IUPAC

3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[1,1,2,2,3,3,4,4,5,5,6,6-dodecadeuterio-6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]hexyl]propanamide

Unlabelled CAS Number

23128-74-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat