Methyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate
4301
Reference
Methyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate Structure
Systematic / IUPAC Name: Methyl 4-(1H-benzotriazol-1-ylmethyl)benzoate
ID: Reference4301
Other Names: Benzoic acid, 4-(1H-1,2,3-benzotriazol-1-ylmethyl)-, methyl ester
Formula: C15H13N3O2
Spectral Data
Methyl 4-(1H-1,2,3-benzotriazol-1-ylmethyl)benzoate 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/21/2016 7:12:13 AM |
Identificators
| InChI | InChI=1S/C15H13N3O2/c1-20-15(19)12-8-6-11(7-9-12)10-18-14-5-3-2-4-13(14)16-17-18/h2-9H,10H2,1H3 |
| InChI Key | HSLJIOGNIIZZOF-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2 |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 4-(1H-1,2,3-benzotriazol-1-ylmethyl)-, methyl ester |
In Other Databases
| ChEMBL | CHEMBL1453084 |
| ChemSpider | 2101551 |
| PubChem | 2823339 |