| SpectraBase Spectrum ID |
CVoJ2GIANKs |
| Name |
Amidotrizoic acid 2ME |
| Classification |
X-ray contrast
medium |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
641.800941903 u |
| Formula |
C13H13I3N2O4 |
| InChI |
InChI=1S/C13H13I3N2O4/c1-5(19)17-11-8(14)7(13(21)22-4)9(15)12(10(11)16)18(3)6(2)20/h1-4H3,(H,17,19) |
| InChIKey |
VEMBTDFKCRHMLA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
641.970 g/mol |
| Related CAS Registry Number(s) |
117-96-4 |
| SMILES |
c1(c(C(=O)OC)c(I)c(NC(C)=O)c(c1N(C(C)=O)C)I)I |
| SPLASH |
splash10-014i-1112390000-fd5e7c33a91861b375e3 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3708 |
