![2-[Benzyl(methyl)amino]pent-4-enoic acid methyl ester](/api/spectrum/JIHCDcgOJ4E/structure.png?h=300&w=458 "2-[Benzyl(methyl)amino]pent-4-enoic acid methyl ester")
| SpectraBase Compound ID | 6VvLv96OOE9 |
|---|---|
| InChI | InChI=1S/C14H19NO2/c1-4-8-13(14(16)17-3)15(2)11-12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3 |
| InChIKey | LLXSFGJVJABAFP-UHFFFAOYSA-N |
| Mol Weight | 233.31 g/mol |
| Molecular Formula | C14H19NO2 |
| Exact Mass | 233.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIHCDcgOJ4E |
|---|---|
| Name | 2-[Benzyl(methyl)amino]pent-4-enoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.141578854 u |
| Formula | C14H19NO2 |
| InChI | InChI=1S/C14H19NO2/c1-4-8-13(14(16)17-3)15(2)11-12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3 |
| InChIKey | LLXSFGJVJABAFP-UHFFFAOYSA-N |
| Molecular Weight | 233.311 g/mol |
| SMILES | C(N(CC1=CC=CC=C1)C)(C(=O)OC)CC=C |