For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Iopentol
SpectraBase Compound ID 6GLkz3kFVUC
InChI InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)
InChIKey IUNJANQVIJDFTQ-UHFFFAOYSA-N
Mol Weight 835.17 g/mol
Molecular Formula C20H28I3N3O9
Exact Mass 834.895964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4C9vbGfbLbU
Name Iopentol
CAS Registry Number 89797-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28I3N3O9
InChI InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)
InChIKey IUNJANQVIJDFTQ-UHFFFAOYSA-N
Molecular Weight 835.169 g/mol
SMILES N(C(c1c(c(N(CC(O)COC)C(=O)C)c(c(c1I)C(NCC(CO)O)=O)I)I)=O)CC(CO)O
SPLASH splash10-0udi-0490000000-d825057d61295ff70f99
Source of Spectrum CJ-0-18-3508
Synonyms 5-[acetyl-(2-hydroxy-3-methoxy-propyl)amino]-N,N'-diglyceryl-2,4,6-triiodo-isophthalamide 5-[acetyl-(2-hydroxy-3-methoxy-propyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-benzene-1,3-dicarboxamide 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide N1,N3-bis[2,3-bis(oxidanyl)propyl]-5-[ethanoyl-(3-methoxy-2-oxidanyl-propyl)amino]-2,4,6-tris(iodanyl)benzene-1,3-dicarboxamide
Wiley ID 1417582