| SpectraBase Compound ID | 12X4qMFiSZK |
|---|---|
| InChI | InChI=1S/C24H36O2/c1-16(2)15-26-22(25)24(6)13-7-12-23(5)20-10-8-18(17(3)4)14-19(20)9-11-21(23)24/h8,10,14,16-17,21H,7,9,11-13,15H2,1-6H3 |
| InChIKey | CDLNZPZXYYNDRK-UHFFFAOYSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C24H36O2 |
| Exact Mass | 356.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvJ5TkpxJeR |
|---|---|
| Name | Isobutyl dehydroabietate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.271530397 u |
| Formula | C24H36O2 |
| InChI | InChI=1S/C24H36O2/c1-16(2)15-26-22(25)24(6)13-7-12-23(5)20-10-8-18(17(3)4)14-19(20)9-11-21(23)24/h8,10,14,16-17,21H,7,9,11-13,15H2,1-6H3 |
| InChIKey | CDLNZPZXYYNDRK-UHFFFAOYSA-N |
| Molecular Weight | 356.550 g/mol |
| SMILES | CC12C3=C(CCC2C(C(OCC(C)C)=O)(C)CCC1)C=C(C=C3)C(C)C |