Analyte Name

Caffeic Acid-13C9

CAS Number

1173097-51-2

Molecular Formula

13C9 H8 O4

Molecular Weight

189.091

Accurate Mass

189.072

SMILES

O[13C](=O)\[13CH]=[13CH]\[13c]1[13cH][13cH][13c](O)[13c](O)[13cH]1

InChI

InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1

IUPAC

(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat