Analyte Name

6-Hydroxybenzbromarone-13C6

Molecular Formula

13C6 C11 H12 Br2 O4

Molecular Weight

446.039

Accurate Mass

443.93

SMILES

CCc1oc2cc(O)ccc2c1C(=O)[13c]3[13cH][13c](Br)[13c](O)[13c](Br)[13cH]3

InChI

InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3/i5+1,6+1,8+1,11+1,12+1,17+1

IUPAC

(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone

Unlabelled CAS Number

152831-00-0

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat