| SpectraBase Compound ID | B5GKh7NvJNm |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h1-2,6,12H,3,7-11H2,(H,15,17) |
| InChIKey | LFIGRVKINWYBHD-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13NCEEOJ5l0 |
|---|---|
| Name | 2-Aminopent-4-enoic acid, N-(3-butyn-1-oxycarbonyl)-, N-(3-butyn-1-yl)-ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h1-2,6,12H,3,7-11H2,(H,15,17) |
| InChIKey | LFIGRVKINWYBHD-UHFFFAOYSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | C(C(C(OCCC#C)=O)NC(=O)OCCC#C)C=C |