![(S)-2-Octyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine](/api/spectrum/LCaoryJRtPI/structure.png?h=300&w=458 "(S)-2-Octyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine")
| SpectraBase Compound ID | AHmlbZ3y852 |
|---|---|
| InChI | InChI=1S/C18H29N/c1-2-3-4-5-6-7-12-18-15-17-11-9-8-10-16(17)13-14-19-18/h8-11,18-19H,2-7,12-15H2,1H3/t18-/m0/s1 |
| InChIKey | GBQGSOCSZKIFCK-SFHVURJKSA-N |
| Mol Weight | 259.44 g/mol |
| Molecular Formula | C18H29N |
| Exact Mass | 259.23 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LCaoryJRtPI |
|---|---|
| Name | (S)-2-Octyl-2,3,4,5-tetrahydro-1H-benzo[D]azepine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.229999938 u |
| Formula | C18H29N |
| InChI | InChI=1S/C18H29N/c1-2-3-4-5-6-7-12-18-15-17-11-9-8-10-16(17)13-14-19-18/h8-11,18-19H,2-7,12-15H2,1H3/t18-/m0/s1 |
| InChIKey | GBQGSOCSZKIFCK-SFHVURJKSA-N |
| Molecular Weight | 259.437 g/mol |
| SMILES | C=12C[C@@](NCCC2=CC=CC1)(CCCCCCCC)[H] |