| SpectraBase Spectrum ID |
GVTOv4IBQTA |
| Name |
Bendazole |
| CAS Registry Number |
621-72-7 |
| Classification |
Pharmaceutical drug, coronary vasodilator |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
208.100048394 u |
| Formula |
C14H12N2 |
| InChI |
InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16) |
| InChIKey |
YTLQFZVCLXFFRK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
208.264 g/mol |
| Nominal Mass |
208 u |
| Quality |
867 |
| Retention Index |
1784 |
| SMILES |
C=12NC(=NC2=CC=CC1)CC=1C=CC=CC1 |
| SPLASH |
splash10-0a4i-3190000000-9067bacd2400fb1b5cb1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Benzyl-3H-benzimidazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000208 |
