| SpectraBase Spectrum ID |
2sGHIWsAyIO |
| Name |
2-[4',5'-Dihydro-5'-methyl-5'-(1'-methylethyl)-4'-oxo-1H-imidazol-2'-yl]-1,4-benzenedicarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.105921618 u |
| Formula |
C15H16N2O5 |
| InChI |
InChI=1S/C15H16N2O5/c1-7(2)15(3)14(22)16-11(17-15)10-6-8(12(18)19)4-5-9(10)13(20)21/h4-7H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22) |
| InChIKey |
IFQGZGNWNPAMJE-UHFFFAOYSA-N |
| Molecular Weight |
304.302 g/mol |
| SMILES |
C1(=NC(=O)C(N1)(C(C)C)C)C=1C(C(=O)O)=CC=C(C1)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946398 |
![2-[4',5'-Dihydro-5'-methyl-5'-(1'-methylethyl)-4'-oxo-1H-imidazol-2'-yl]-1,4-benzenedicarboxylic acid](/api/spectrum/2sGHIWsAyIO/structure.png?h=300&w=458 "2-[4',5'-Dihydro-5'-methyl-5'-(1'-methylethyl)-4'-oxo-1H-imidazol-2'-yl]-1,4-benzenedicarboxylic acid")
