2-(1,3-Benzodioxol-5-yl)-4,5,6,7-tetramethyl-1H-benzimidazole
5277
Reference
2-(1,3-Benzodioxol-5-yl)-4,5,6,7-tetramethyl-1H-benzimidazole Structure
Systematic / IUPAC Name: 2-(1,3-Benzodioxol-5-yl)-4,5,6,7-tetramethyl-1H-benzimidazole
ID: Reference5277
Other Names: 1H-Benzimidazole, 2-(1,3-benzodioxol-5-yl)-4,5,6,7-tetramethyl-
Formula: C18H18N2O2
Spectral Data
2-(1,3-Benzodioxol-5-yl)-4,5,6,7-tetramethyl-1H-benzimidazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 7/26/2016 11:33:23 AM |
Identificators
| InChI | InChI=1S/C18H18N2O2/c1-9-10(2)12(4)17-16(11(9)3)19-18(20-17)13-5-6-14-15(7-13)22-8-21-14/h5-7H,8H2,1-4H3,(H,19,20) |
| InChI Key | SMSWZQWPPPWQOA-UHFFFAOYSA-N |
| Canonical SMILES | CC1=C(C(=C2C(=C1C)NC(=N2)C3=CC4=C(C=C3)OCO4)C)C |
| CAS | |
| Splash | |
| Other Names | 1H-Benzimidazole, 2-(1,3-benzodioxol-5-yl)-4,5,6,7-tetramethyl- |
In Other Databases
| ChEMBL | CHEMBL1435292 |
| PubChem | 2738961 |
| ChemSpider | 2020586 |