| SpectraBase Spectrum ID |
13G8FzPBbXf |
| Name |
1,3-Dihydro-2H-benzimidazol-2-iminium 2-[1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-2-oxo-2-phenylethyl]-3-oxocyclohex-1-enolate with ethanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H33N3O6 |
| InChI |
InChI=1S/C20H20O5.C7H7N3.C2H6O/c21-13-8-4-9-14(22)17(13)19(18-15(23)10-5-11-16(18)24)20(25)12-6-2-1-3-7-12;8-7-9-5-3-1-2-4-6(5)10-7;1-2-3/h1-3,6-7,19,21,23H,4-5,8-11H2;1-4H,(H3,8,9,10);3H,2H2,1H3 |
| InChIKey |
ZZLCCKOHZQUREK-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1007/s10593-015-1700-y |
| Molecular Weight |
519.598 g/mol |
| SMILES |
N1C(Nc2ccccc12)=[NH2+].OCC.OC1=C(C(CCC1)=O)C(C=1C(CCCC1[O-])=O)C(c1ccccc1)=O |
| SPLASH |
splash10-052f-9510000000-a6ed795f3a0057ebabec |
| Source of Spectrum |
HC-51-316-7a |
| Wiley ID |
1806409 |
![1,3-Dihydro-2H-benzimidazol-2-iminium 2-[1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-2-oxo-2-phenylethyl]-3-oxocyclohex-1-enolate with ethanol](/api/spectrum/13G8FzPBbXf/structure.png?h=300&w=458 "1,3-Dihydro-2H-benzimidazol-2-iminium 2-[1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-2-oxo-2-phenylethyl]-3-oxocyclohex-1-enolate with ethanol")
