| SpectraBase Compound ID | EroHfBOlHeM |
|---|---|
| InChI | InChI=1S/C15H29NO2/c1-6-7-8-9-10-11-16-13(2)12-14(17)18-15(3,4)5/h12,16H,6-11H2,1-5H3/b13-12- |
| InChIKey | CXZRMKWFZVIRSW-SEYXRHQNSA-N |
| Mol Weight | 255.4 g/mol |
| Molecular Formula | C15H29NO2 |
| Exact Mass | 255.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Akfulb4LcO |
|---|---|
| Name | 2-Butenoic acid, 3-(heptylamino)-, 1,1-dimethylethyl ester, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.219829176 u |
| Formula | C15H29NO2 |
| InChI | InChI=1S/C15H29NO2/c1-6-7-8-9-10-11-16-13(2)12-14(17)18-15(3,4)5/h12,16H,6-11H2,1-5H3/b13-12- |
| InChIKey | CXZRMKWFZVIRSW-SEYXRHQNSA-N |
| Molecular Weight | 255.402 g/mol |
| SMILES | C(\C=C\(NCCCCCCC)C)(OC(C)(C)C)=O |