| SpectraBase Compound ID | AvwlvBRMsDE |
|---|---|
| InChI | InChI=1S/C13H19NO2/c14-12-9-6-5-8-11(12)7-3-1-2-4-10-13(15)16/h5-6,8-9H,1-4,7,10,14H2,(H,15,16) |
| InChIKey | ZFXXVVRQQNCNDM-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jMMUL4rCQA |
|---|---|
| Name | 7-(2-Aminophenyl)heptanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.141578854 u |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c14-12-9-6-5-8-11(12)7-3-1-2-4-10-13(15)16/h5-6,8-9H,1-4,7,10,14H2,(H,15,16) |
| InChIKey | ZFXXVVRQQNCNDM-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | C1(=C(C=CC=C1)N)CCCCCCC(=O)O |