2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-(3-nitrophenyl)ethan-1-ol
3770
Reference
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-(3-nitrophenyl)ethan-1-ol Structure
Systematic / IUPAC Name: 2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-(3-nitrophenyl)ethanol
ID: Reference3770
Other Names: Benzenemethanol, α-{[(1,3-benzodioxol-5-ylmethyl)amino]methyl}-3-nitro-
Formula: C16H16N2O5
Spectral Data
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-(3-nitrophenyl)ethan-1-ol 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 | 195 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/10/2016 8:15:43 AM |
Identificators
| InChI | InChI=1S/C16H16N2O5/c19-14(12-2-1-3-13(7-12)18(20)21)9-17-8-11-4-5-15-16(6-11)23-10-22-15/h1-7,14,17,19H,8-10H2 |
| InChI Key | CWYOKCMZZUYCEO-UHFFFAOYSA-N |
| Canonical SMILES | |
| CAS | |
| Splash | |
| Other Names | Benzenemethanol, α-{[(1,3-benzodioxol-5-ylmethyl)amino]methyl}-3-nitro- |
In Other Databases
| ChemSpider | 2088309 |
| ChEMBL | CHEMBL577227 |
| PubChem | 2809888 |