| SpectraBase Compound ID | JV058ls1bjb |
|---|---|
| InChI | InChI=1S/C12H15N3O/c1-9-14-11-5-3-4-6-12(11)15(9)8-7-13-10(2)16/h3-6H,7-8H2,1-2H3,(H,13,16) |
| InChIKey | CXXBXUJTDFYBNI-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C12H15N3O |
| Exact Mass | 217.121512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69B5wScJixb |
|---|---|
| Name | 2-(2-Methyl-1H-1,3-benzodiazol-1-yl)ethan-1-amine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.121512114 u |
| Formula | C12H15N3O |
| InChI | InChI=1S/C12H15N3O/c1-9-14-11-5-3-4-6-12(11)15(9)8-7-13-10(2)16/h3-6H,7-8H2,1-2H3,(H,13,16) |
| InChIKey | CXXBXUJTDFYBNI-UHFFFAOYSA-N |
| Molecular Weight | 217.272 g/mol |
| SMILES | C1=2N(C(=NC2C=CC=C1)C)CCNC(C)=O |