| SpectraBase Compound ID | GuJTsJQSGN8 |
|---|---|
| InChI | InChI=1S/C29H36O2/c1-21(2)23-12-14-25-24(19-23)13-15-26-28(3,17-8-18-29(25,26)4)20-31-27(30)16-11-22-9-6-5-7-10-22/h5-7,9-12,14,16,19,21,26H,8,13,15,17-18,20H2,1-4H3/b16-11+ |
| InChIKey | RPKRJWSKXBIBJU-LFIBNONCSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C29H36O2 |
| Exact Mass | 416.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tRylZmxIHz |
|---|---|
| Name | Dehydroabietol cinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.271530397 u |
| Formula | C29H36O2 |
| InChI | InChI=1S/C29H36O2/c1-21(2)23-12-14-25-24(19-23)13-15-26-28(3,17-8-18-29(25,26)4)20-31-27(30)16-11-22-9-6-5-7-10-22/h5-7,9-12,14,16,19,21,26H,8,13,15,17-18,20H2,1-4H3/b16-11+ |
| InChIKey | RPKRJWSKXBIBJU-LFIBNONCSA-N |
| Molecular Weight | 416.605 g/mol |
| SMILES | C1(CCCC2(C1CCC=1C2=CC=C(C1)C(C)C)C)(COC(\C=C\C1=CC=CC=C1)=O)C |