| SpectraBase Compound ID | ID3WKptQhst |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3 |
| InChIKey | OEGYRTRDTQZDOM-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 | Jqzx4AV0GjY |
|---|---|
| Name | Anthranilic acid, 3-methylpentyl ester |
| 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/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h4-7,10H,3,8-9,14H2,1-2H3 |
| InChIKey | OEGYRTRDTQZDOM-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | C(C1=C(C=CC=C1)N)(=O)OCCC(CC)C |