| SpectraBase Compound ID | FvcxDOcnlZx |
|---|---|
| InChI | InChI=1S/C15H20N2O5/c1-17(14(19)10-4-6-11(16)7-5-10)12(15(20)22-3)8-9-13(18)21-2/h4-7,12H,8-9,16H2,1-3H3 |
| InChIKey | BYUMBUFOIYHFFQ-UHFFFAOYSA-N |
| Mol Weight | 308.33 g/mol |
| Molecular Formula | C15H20N2O5 |
| Exact Mass | 308.137222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xoYnajdQCR |
|---|---|
| Name | 4-Aminobenzoylglutamic acid N,o,o-methyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.137221747 u |
| Formula | C15H20N2O5 |
| InChI | InChI=1S/C15H20N2O5/c1-17(14(19)10-4-6-11(16)7-5-10)12(15(20)22-3)8-9-13(18)21-2/h4-7,12H,8-9,16H2,1-3H3 |
| InChIKey | BYUMBUFOIYHFFQ-UHFFFAOYSA-N |
| Molecular Weight | 308.334 g/mol |
| SMILES | C1=CC(=CC=C1N)C(N(C(C(OC)=O)CCC(OC)=O)C)=O |