| SpectraBase Compound ID | B7GAZgy78Ng |
|---|---|
| InChI | InChI=1S/C13H15N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-8,10H,9H2,1-2H3 |
| InChIKey | ILBZMIKXUUXIHC-UHFFFAOYSA-N |
| Mol Weight | 185.27 g/mol |
| Molecular Formula | C13H15N |
| Exact Mass | 185.120449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHONWQsMtbB |
|---|---|
| Name | Isoquinoline, 1-isobutyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.120449487 u |
| Formula | C13H15N |
| InChI | InChI=1S/C13H15N/c1-10(2)9-13-12-6-4-3-5-11(12)7-8-14-13/h3-8,10H,9H2,1-2H3 |
| InChIKey | ILBZMIKXUUXIHC-UHFFFAOYSA-N |
| Molecular Weight | 185.270 g/mol |
| SMILES | C(C(C)C)C1=C2C(=CC=N1)C=CC=C2 |