| SpectraBase Compound ID | 5PFaVTQ3Z8Z |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-10(2)9-17-11(14)7-5-4-6-8-13-12(15)16-3/h10H,4-9H2,1-3H3,(H,13,15) |
| InChIKey | CDJJKXKCXBLZRW-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IuIitH2GSnw |
|---|---|
| Name | 6-Aminocaproic acid, N-methoxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-10(2)9-17-11(14)7-5-4-6-8-13-12(15)16-3/h10H,4-9H2,1-3H3,(H,13,15) |
| InChIKey | CDJJKXKCXBLZRW-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | COC(NCCCCCC(OCC(C)C)=O)=O |