![5-{[(4-methoxyphenyl)(phenyl)methyl]amino}-5-oxopentanoic acid](/api/spectrum/Gq0MJxKfJqz/structure.png?h=300&w=458 "5-{[(4-methoxyphenyl)(phenyl)methyl]amino}-5-oxopentanoic acid")
| SpectraBase Compound ID | 8jGBcVoDd3j |
|---|---|
| InChI | InChI=1S/C19H21NO4/c1-24-16-12-10-15(11-13-16)19(14-6-3-2-4-7-14)20-17(21)8-5-9-18(22)23/h2-4,6-7,10-13,19H,5,8-9H2,1H3,(H,20,21)(H,22,23) |
| InChIKey | ZRMFURHKBIEJNT-UHFFFAOYSA-N |
| Mol Weight | 327.38 g/mol |
| Molecular Formula | C19H21NO4 |
| Exact Mass | 327.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gq0MJxKfJqz |
|---|---|
| Name | 5-{[(4-methoxyphenyl)(phenyl)methyl]amino}-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.147058156 u |
| Formula | C19H21NO4 |
| InChI | InChI=1S/C19H21NO4/c1-24-16-12-10-15(11-13-16)19(14-6-3-2-4-7-14)20-17(21)8-5-9-18(22)23/h2-4,6-7,10-13,19H,5,8-9H2,1H3,(H,20,21)(H,22,23) |
| InChIKey | ZRMFURHKBIEJNT-UHFFFAOYSA-N |
| SMILES | N(C(CCCC(O)=O)=O)C(C1=CC=CC=C1)C1=CC=C(C=C1)OC |