| SpectraBase Spectrum ID |
5TxSGpjoNBr |
| Name |
1,3-Dihydro-2H-benzimidazol-2-iminium 2-[1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-2-oxo-2-(4-methylphenyl)-ethyl]-3-oxocyclohex-1-enolate with ethanol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H35N3O6 |
| InChI |
InChI=1S/C21H22O5.C7H7N3.C2H6O/c1-12-8-10-13(11-9-12)21(26)20(18-14(22)4-2-5-15(18)23)19-16(24)6-3-7-17(19)25;8-7-9-5-3-1-2-4-6(5)10-7;1-2-3/h8-11,20,22,24H,2-7H2,1H3;1-4H,(H3,8,9,10);3H,2H2,1H3 |
| InChIKey |
PTDRUTJUZQDFLX-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1007/s10593-015-1700-y |
| Molecular Weight |
533.625 g/mol |
| SMILES |
N1C(Nc2ccccc12)=[NH2+].OCC.OC1=C(C(CCC1)=O)C(C=1C(CCCC1[O-])=O)C(c1ccc(cc1)C)=O |
| SPLASH |
splash10-015c-5930000000-2cfc8236a9e1c5d41602 |
| Source of Spectrum |
HC-51-316-7b |
| Wiley ID |
1806410 |
![1,3-Dihydro-2H-benzimidazol-2-iminium 2-[1-(2-hydroxy-6-oxocyclohex-1-en-1-yl)-2-oxo-2-(4-methylphenyl)-ethyl]-3-oxocyclohex-1-enolate with ethanol](/api/spectrum/5TxSGpjoNBr/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-(4-methylphenyl)-ethyl]-3-oxocyclohex-1-enolate with ethanol")
