Analyte Name

(Z)-but-2-enedioic acid N,N-dipropyl-5,6-bis(trideuteriomethoxy)-2,3-dihydro-1H-inden-2-amine

Molecular Formula

C17 D6 H21 N O2 . C4 H4 O4

Molecular Weight

399.511

Accurate Mass

399.253

SMILES

[2H]C([2H])([2H])Oc1cc2CC(Cc2cc1OC([2H])([2H])[2H])N(CCC)CCC.OC(=O)\C=C/C(=O)O

InChI

InChI=1S/C17H27NO2.C4H4O4/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15;5-3(6)1-2-4(7)8/h11-12,15H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/i3D3,4D3;

IUPAC

(Z)-but-2-enedioic acid;N,N-dipropyl-5,6-bis(trideuteriomethoxy)-2,3-dihydro-1H-inden-2-amine

Unlabelled CAS Number

234757-41-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat