Analyte Name

(1E,6E)-4-((1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione-2,3,4,5,6-13C5

Molecular Formula

C2613C5H28ClN3O6

Molecular Weight

579

Accurate Mass

578.18

SMILES

O=[13C](/[13CH]=C/C1=CC(OC)=C(O)C=C1)[13CH](CC2=CN(CC3=CC=C(Cl)C=C3)N=N2)[13C](/[13CH]=C/C4=CC=C(O)C(OC)=C4)=O

InChI

InChI=1S/C31H28ClN3O6/c1-40-30-15-20(7-13-28(30)38)5-11-26(36)25(27(37)12-6-21-8-14-29(39)31(16-21)41-2)17-24-19-35(34-33-24)18-22-3-9-23(32)10-4-22/h3-16,19,25,38-39H,17-18H2,1-2H3/b11-5+,12-6+/i11+1,12+1,25+1,26+1,27+1

IUPAC

(1E,6E)-4-((1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione-2,3,4,5,6-13C5

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat