| SpectraBase Compound ID | 3Tjze7CJEXx |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-3-4-7-17-12(15)9(2)13-11(14)10-6-5-8-16-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14) |
| InChIKey | RCNLFYHNWPMDRV-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUgi31nlfCE |
|---|---|
| Name | L-Alanine, N-(2-furoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.115758027 u |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-3-4-7-17-12(15)9(2)13-11(14)10-6-5-8-16-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14) |
| InChIKey | RCNLFYHNWPMDRV-UHFFFAOYSA-N |
| Molecular Weight | 239.271 g/mol |
| SMILES | CC(NC(C=1OC=CC1)=O)C(OCCCC)=O |