| SpectraBase Compound ID | 2FJVlOUOMnM |
|---|---|
| InChI | InChI=1S/C16H23NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14,16,18H,3,7,13H2,1-2H3/b5-4+,11-6+ |
| InChIKey | KHTLRQIIXPTJFM-LJIKRCSCSA-N |
| Mol Weight | 245.37 g/mol |
| Molecular Formula | C16H23NO |
| Exact Mass | 245.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IOc8NnoHbCK |
|---|---|
| Name | 6,8-Nonadien-3-ol, 9-(2-methyl-2H-azepin-7-yl)-, (E,E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.177964364 u |
| Formula | C16H23NO |
| InChI | InChI=1S/C16H23NO/c1-3-16(18)13-7-5-4-6-11-15-12-9-8-10-14(2)17-15/h4-6,8-12,14,16,18H,3,7,13H2,1-2H3/b5-4+,11-6+ |
| InChIKey | KHTLRQIIXPTJFM-LJIKRCSCSA-N |
| Molecular Weight | 245.366 g/mol |
| SMILES | C1(=NC(C=CC=C1)C)\C=C\C=C\CCC(O)CC |