![Benzoic acid, 4-[3-(2-chloroethyl)-1-triazenyl]-, ethyl ester](/api/spectrum/JBQxEEyBJvS/structure.png?h=300&w=458 "Benzoic acid, 4-[3-(2-chloroethyl)-1-triazenyl]-, ethyl ester")
| SpectraBase Compound ID | ANja1pWXgAB |
|---|---|
| InChI | InChI=1S/C11H14ClN3O2/c1-2-17-11(16)9-3-5-10(6-4-9)14-15-13-8-7-12/h3-6H,2,7-8H2,1H3,(H,13,14) |
| InChIKey | LQAYHPZYFTWQKY-UHFFFAOYSA-N |
| Mol Weight | 255.7 g/mol |
| Molecular Formula | C11H14ClN3O2 |
| Exact Mass | 255.077454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JBQxEEyBJvS |
|---|---|
| Name | Benzoic acid, 4-[3-(2-chloroethyl)-1-triazenyl]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.077454401 u |
| Formula | C11H14ClN3O2 |
| InChI | InChI=1S/C11H14ClN3O2/c1-2-17-11(16)9-3-5-10(6-4-9)14-15-13-8-7-12/h3-6H,2,7-8H2,1H3,(H,13,14) |
| InChIKey | LQAYHPZYFTWQKY-UHFFFAOYSA-N |
| Molecular Weight | 255.705 g/mol |
| SMILES | C1(\N=N\NCCCl)=CC=C(C(=O)OCC)C=C1 |