| SpectraBase Compound ID | iApjtEbXp8 |
|---|---|
| InChI | InChI=1S/C14H19NO3/c1-2-3-5-10-13(15-11-16)14(17)18-12-8-6-4-7-9-12/h4,6-9,11,13H,2-3,5,10H2,1H3,(H,15,16) |
| InChIKey | GGCLWZKNDRQULS-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C14H19NO3 |
| Exact Mass | 249.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcbSisjqfF9 |
|---|---|
| Name | Phenyl .alpha.-(N-formylamino)heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.136493473 u |
| Formula | C14H19NO3 |
| InChI | InChI=1S/C14H19NO3/c1-2-3-5-10-13(15-11-16)14(17)18-12-8-6-4-7-9-12/h4,6-9,11,13H,2-3,5,10H2,1H3,(H,15,16) |
| InChIKey | GGCLWZKNDRQULS-UHFFFAOYSA-N |
| Molecular Weight | 249.310 g/mol |
| SMILES | C(OC=1C=CC=CC1)(=O)C(NC=O)CCCCC |