Analyte Name

N-Desmethyl N-Nitroso Trimebutine 13C3

Molecular Formula

C18 13C3 H26 N2 O6

Molecular Weight

405.42

Accurate Mass

405.19

SMILES

O=C(C1=CC(O[13CH3])=C(C(O[13CH3])=C1)O[13CH3])OCC(C2=CC=CC=C2)(CC)N(N=O)C

InChI

InChI=1S/C21H26N2O6/c1-6-21(23(2)22-25,16-10-8-7-9-11-16)14-29-20(24)15-12-17(26-3)19(28-5)18(13-15)27-4/h7-13H,6,14H2,1-5H3/i3+1,4+1,5+1

IUPAC

2-(methyl(nitroso)amino)-2-phenylbutyl 3,4,5-tri(methoxy-13C)benzoate

Unlabelled CAS Number

294882-35-2

SIL Type

Carbon

Country of Origin

CANADA

Product Format

Neat