| SpectraBase Spectrum ID |
L28yY4Lrtm9 |
| Name |
Amidotrizoic acid 3ME |
| Classification |
X-ray contrast
medium |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
655.816591967 u |
| Formula |
C14H15I3N2O4 |
| InChI |
InChI=1S/C14H15I3N2O4/c1-6(20)18(3)12-9(15)8(14(22)23-5)10(16)13(11(12)17)19(4)7(2)21/h1-5H3 |
| InChIKey |
UJXKVYABWQOLFW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
655.997 g/mol |
| SMILES |
c1(c(C(OC)=O)c(I)c(N(C(C)=O)C)c(c1N(C(C)=O)C)I)I |
| SPLASH |
splash10-004i-1111191000-a4342a34b98b06e71356 |
| 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. |
| 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_3709 |
