| SpectraBase Compound ID | 9CxNVyGf9Wd |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-2-6-12(9-13(15)16)14-10-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,15,16) |
| InChIKey | JQKKEYCMOYWIOU-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JdQSQH6Yw82 |
|---|---|
| Name | 3-(Benzylamino)caproic acid |
| Alternate Name(s) | 3-(Benzylamino)hexanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-2-6-12(9-13(15)16)14-10-11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,15,16) |
| InChIKey | JQKKEYCMOYWIOU-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | OC(CC(CCC)NCc1ccccc1)=O |
| SPLASH | splash10-0006-9400000000-cd9396e4536c16e849b0 |
| Source of Spectrum | SRH-2022-7924-0 |
| Wiley ID | 1829671 |