| SpectraBase Compound ID | 8Y7jEnMsjlq |
|---|---|
| InChI | InChI=1S/C9H17NO2/c1-12-9(11)8-10-6-4-2-3-5-7-10/h2-8H2,1H3 |
| InChIKey | GNUZJPUUUCAMNF-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Oer9u8V1k8 |
|---|---|
| Name | Azepan-1-yl-acetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.125928789 u |
| Formula | C9H17NO2 |
| InChI | InChI=1S/C9H17NO2/c1-12-9(11)8-10-6-4-2-3-5-7-10/h2-8H2,1H3 |
| InChIKey | GNUZJPUUUCAMNF-UHFFFAOYSA-N |
| Molecular Weight | 171.240 g/mol |
| SMILES | C1N(CCCCC1)CC(OC)=O |