| SpectraBase Compound ID | 3eA1O8LAjes |
|---|---|
| InChI | InChI=1S/C13H17N/c1-3-6-13-12-8-5-4-7-11(12)9-10-14(13)2/h3-5,7-8,13H,1,6,9-10H2,2H3 |
| InChIKey | MRXBYLHWQYBLRW-UHFFFAOYSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVULO1byigt |
|---|---|
| Name | 1-Allyl-2-methyl-3,4-dihydro-1H-isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.136099551 u |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c1-3-6-13-12-8-5-4-7-11(12)9-10-14(13)2/h3-5,7-8,13H,1,6,9-10H2,2H3 |
| InChIKey | MRXBYLHWQYBLRW-UHFFFAOYSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C1(N(CCC2=CC=CC=C12)C)CC=C |