| SpectraBase Compound ID | 91b2d9cupoe |
|---|---|
| InChI | InChI=1S/C15H19ClN2O2/c1-10(2)18-13-9-11(16)7-8-12(13)17-14(18)5-3-4-6-15(19)20/h7-10H,3-6H2,1-2H3,(H,19,20) |
| InChIKey | VHVNWQOCESTHSP-UHFFFAOYSA-N |
| Mol Weight | 294.78 g/mol |
| Molecular Formula | C15H19ClN2O2 |
| Exact Mass | 294.113506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ErFThZSMbi3 |
|---|---|
| Name | 5-(6-Chloro-1-isopropyl-1,3-benzodiazol-2-yl)pentanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.113505558 u |
| Formula | C15H19ClN2O2 |
| InChI | InChI=1S/C15H19ClN2O2/c1-10(2)18-13-9-11(16)7-8-12(13)17-14(18)5-3-4-6-15(19)20/h7-10H,3-6H2,1-2H3,(H,19,20) |
| InChIKey | VHVNWQOCESTHSP-UHFFFAOYSA-N |
| Molecular Weight | 294.782 g/mol |
| SMILES | C1=C2C(=CC=C1Cl)N=C(N2C(C)C)CCCCC(O)=O |