![5-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-5-oxopentanoic acid](/api/spectrum/G6ivFrlUkvd/structure.png?h=300&w=458 "5-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-5-oxopentanoic acid")
| SpectraBase Compound ID | 87ryJ5VT5jN |
|---|---|
| InChI | InChI=1S/C14H15NO6/c1-8(16)9-5-11-12(21-7-20-11)6-10(9)15-13(17)3-2-4-14(18)19/h5-6H,2-4,7H2,1H3,(H,15,17)(H,18,19) |
| InChIKey | ALVHBXNJMJLRQZ-UHFFFAOYSA-N |
| Mol Weight | 293.27 g/mol |
| Molecular Formula | C14H15NO6 |
| Exact Mass | 293.089937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G6ivFrlUkvd |
|---|---|
| Name | 5-[(6-Acetyl-1,3-benzodioxol-5-yl)amino]-5-oxopentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.089937201 u |
| Formula | C14H15NO6 |
| InChI | InChI=1S/C14H15NO6/c1-8(16)9-5-11-12(21-7-20-11)6-10(9)15-13(17)3-2-4-14(18)19/h5-6H,2-4,7H2,1H3,(H,15,17)(H,18,19) |
| InChIKey | ALVHBXNJMJLRQZ-UHFFFAOYSA-N |
| SMILES | N(C=1C(=CC2=C(C1)OCO2)C(=O)C)C(CCCC(=O)O)=O |