![2-Amino-1,1-dicarboxylic acid, N-[3-fluorophenyl]-](/api/spectrum/5XcSW4bMuM2/structure.png?h=300&w=458 "2-Amino-1,1-dicarboxylic acid, N-[3-fluorophenyl]-")
| SpectraBase Compound ID | 7fYyBx11nxx |
|---|---|
| InChI | InChI=1S/C14H16FNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-6-10(15)8-11/h5-9,16H,3-4H2,1-2H3 |
| InChIKey | IJUVQKNYLHHDTC-UHFFFAOYSA-N |
| Mol Weight | 281.28 g/mol |
| Molecular Formula | C14H16FNO4 |
| Exact Mass | 281.106336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XcSW4bMuM2 |
|---|---|
| Name | 2-Amino-1,1-dicarboxylic acid, N-[3-fluorophenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.106336158 u |
| Formula | C14H16FNO4 |
| InChI | InChI=1S/C14H16FNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-6-10(15)8-11/h5-9,16H,3-4H2,1-2H3 |
| InChIKey | IJUVQKNYLHHDTC-UHFFFAOYSA-N |
| Molecular Weight | 281.283 g/mol |
| SMILES | C1(=CC=CC(=C1)F)NC=C(C(OCC)=O)C(OCC)=O |