| SpectraBase Compound ID | E5lzG474Ok7 |
|---|---|
| InChI | InChI=1S/C12H17N/c1-3-12-11-7-5-4-6-10(11)8-9-13(12)2/h4-7,12H,3,8-9H2,1-2H3 |
| InChIKey | TWTKJNVCUOICER-UHFFFAOYSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HU7JdUaYe9 |
|---|---|
| Name | Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.136099551 u |
| Formula | C12H17N |
| InChI | InChI=1S/C12H17N/c1-3-12-11-7-5-4-6-10(11)8-9-13(12)2/h4-7,12H,3,8-9H2,1-2H3 |
| InChIKey | TWTKJNVCUOICER-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C1(N(CCC=2C=CC=CC12)C)CC |