![5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid](/api/spectrum/LCHpwD6rjWM/structure.png?h=300&w=458 "5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid")
| SpectraBase Compound ID | Aakj8xYS6Nx |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-10-5-7-11(8-6-10)9-14-12(15)3-2-4-13(16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | GHUPXWWKJXJMMF-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LCHpwD6rjWM |
|---|---|
| Name | 5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-10-5-7-11(8-6-10)9-14-12(15)3-2-4-13(16)17/h5-8H,2-4,9H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | GHUPXWWKJXJMMF-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | OC(CCCC(=O)NCC=1C=CC(C)=CC1)=O |