| SpectraBase Compound ID | 3Bpb3Jv6wd6 |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6-8,12-13,16-17H,5,9-11H2,1-4H3,(H,21,22) |
| InChIKey | VDLBDICQUYQFEK-UHFFFAOYSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 40VPrYY4ix9 |
|---|---|
| Name | Dehydroabietic acid P909 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.208930140 u |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6-8,12-13,16-17H,5,9-11H2,1-4H3,(H,21,22) |
| InChIKey | VDLBDICQUYQFEK-UHFFFAOYSA-N |
| SMILES | C12(C(C(C(=O)O)(C)CCC2)CC=C2C1C=CC(=C2)C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949581 |