| SpectraBase Compound ID | D7DcroNXZKJ |
|---|---|
| InChI | InChI=1S/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3 |
| InChIKey | XSOPBBOEINVWML-UHFFFAOYSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C18H23NO2 |
| Exact Mass | 285.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8u19pIFDeN2 |
|---|---|
| Name | 1-p-Anisyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.172878983 u |
| Formula | C18H23NO2 |
| InChI | InChI=1S/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3 |
| InChIKey | XSOPBBOEINVWML-UHFFFAOYSA-N |
| SMILES | C1=2C(N(C=O)CCC2CCCC1)CC=1C=CC(=CC1)OC |