| SpectraBase Compound ID | EHq6KQIgI9P |
|---|---|
| InChI | InChI=1S/C16H15N3O2/c1-2-21-16(20)11-7-8-14(12(17)9-11)19-10-18-13-5-3-4-6-15(13)19/h3-10H,2,17H2,1H3 |
| InChIKey | LGVSIDAMXVKPKD-UHFFFAOYSA-N |
| Mol Weight | 281.31 g/mol |
| Molecular Formula | C16H15N3O2 |
| Exact Mass | 281.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LV6A0LDvNWG |
|---|---|
| Name | Ethyl 3-amino-4-(1,3-benzodiazol-1-yl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.116426733 u |
| Formula | C16H15N3O2 |
| InChI | InChI=1S/C16H15N3O2/c1-2-21-16(20)11-7-8-14(12(17)9-11)19-10-18-13-5-3-4-6-15(13)19/h3-10H,2,17H2,1H3 |
| InChIKey | LGVSIDAMXVKPKD-UHFFFAOYSA-N |
| SMILES | C1=C2C(=CC=C1)N=CN2C1=C(C=C(C(OCC)=O)C=C1)N |