| SpectraBase Compound ID | 7mhLPTD1Ss6 |
|---|---|
| InChI | InChI=1S/C12H13NO/c1-3-9-13(11(2)14)10-12-7-5-4-6-8-12/h1,4-8H,9-10H2,2H3 |
| InChIKey | XHXZNXPWNXSRBP-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C12H13NO |
| Exact Mass | 187.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVMqa2UvY1s |
|---|---|
| Name | N-Acetyl-N-propargylbenzylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.099714042 u |
| Formula | C12H13NO |
| InChI | InChI=1S/C12H13NO/c1-3-9-13(11(2)14)10-12-7-5-4-6-8-12/h1,4-8H,9-10H2,2H3 |
| InChIKey | XHXZNXPWNXSRBP-UHFFFAOYSA-N |
| Molecular Weight | 187.242 g/mol |
| SMILES | C(N(CC#C)C(=O)C)C=1C=CC=CC1 |