| SpectraBase Compound ID | Fu8tXLBD8LP |
|---|---|
| InChI | InChI=1S/C13H17N3O/c1-2-3-4-5-10-13(17)16-12-9-7-6-8-11(12)14-15-16/h6-9H,2-5,10H2,1H3 |
| InChIKey | UBHPSGGEKOWQDR-UHFFFAOYSA-N |
| Mol Weight | 231.3 g/mol |
| Molecular Formula | C13H17N3O |
| Exact Mass | 231.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2cO7SHfIt8r |
|---|---|
| Name | 1-(1-Benzotriazolyl)-1-heptanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.137162178 u |
| Formula | C13H17N3O |
| InChI | InChI=1S/C13H17N3O/c1-2-3-4-5-10-13(17)16-12-9-7-6-8-11(12)14-15-16/h6-9H,2-5,10H2,1H3 |
| InChIKey | UBHPSGGEKOWQDR-UHFFFAOYSA-N |
| Molecular Weight | 231.299 g/mol |
| SMILES | C(CCCCC(N1N=NC=2C1=CC=CC2)=O)C |