| SpectraBase Compound ID | FD9WRoIAq7r |
|---|---|
| InChI | InChI=1S/C14H17NO5/c1-9(16)15-12(8-14(18)19)7-11-3-5-13(6-4-11)20-10(2)17/h3-6,12H,7-8H2,1-2H3,(H,15,16)(H,18,19) |
| InChIKey | VWSMIUKJECXNKS-UHFFFAOYSA-N |
| Mol Weight | 279.29 g/mol |
| Molecular Formula | C14H17NO5 |
| Exact Mass | 279.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9oQN8kRLINU |
|---|---|
| Name | 3-Amino-4-(4-hydroxyphenyl)butyric acid, N,o-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.110672646 u |
| Formula | C14H17NO5 |
| InChI | InChI=1S/C14H17NO5/c1-9(16)15-12(8-14(18)19)7-11-3-5-13(6-4-11)20-10(2)17/h3-6,12H,7-8H2,1-2H3,(H,15,16)(H,18,19) |
| InChIKey | VWSMIUKJECXNKS-UHFFFAOYSA-N |
| SMILES | C(NC(=O)C)(CC1=CC=C(C=C1)OC(=O)C)CC(=O)O |