| SpectraBase Compound ID | L8FWj8nTmBF |
|---|---|
| InChI | InChI=1S/C13H16ClNO2/c1-17-13(16)10-7-4-8-11(14)12(10)15-9-5-2-3-6-9/h4,7-9,15H,2-3,5-6H2,1H3 |
| InChIKey | XISCCILOJHNQJC-UHFFFAOYSA-N |
| Mol Weight | 253.73 g/mol |
| Molecular Formula | C13H16ClNO2 |
| Exact Mass | 253.086956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7o9wOZksdRb |
|---|---|
| Name | 3-Chloro-2-(cyclopentylamino)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.086956457 u |
| Formula | C13H16ClNO2 |
| InChI | InChI=1S/C13H16ClNO2/c1-17-13(16)10-7-4-8-11(14)12(10)15-9-5-2-3-6-9/h4,7-9,15H,2-3,5-6H2,1H3 |
| InChIKey | XISCCILOJHNQJC-UHFFFAOYSA-N |
| Molecular Weight | 253.729 g/mol |
| SMILES | C=1(C(NC2CCCC2)=C(Cl)C=CC1)C(=O)OC |