| SpectraBase Compound ID | F5nOvYwIw0z |
|---|---|
| InChI | InChI=1S/C15H17NO3/c1-3-4-9-16(11(2)17)13-10-12-7-5-6-8-14(12)19-15(13)18/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | MVGGLACNXXIGDF-UHFFFAOYSA-N |
| Mol Weight | 259.3 g/mol |
| Molecular Formula | C15H17NO3 |
| Exact Mass | 259.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gi8ioPvR7Q |
|---|---|
| Name | 3-Acetamidocoumarin, N-(N-butyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.120843408 u |
| Formula | C15H17NO3 |
| InChI | InChI=1S/C15H17NO3/c1-3-4-9-16(11(2)17)13-10-12-7-5-6-8-14(12)19-15(13)18/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | MVGGLACNXXIGDF-UHFFFAOYSA-N |
| Molecular Weight | 259.305 g/mol |
| SMILES | C1=CC=2OC(=O)C(=CC2C=C1)N(C(C)=O)CCCC |