| SpectraBase Compound ID | 2SPcGT0YodB |
|---|---|
| InChI | InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18?,19-,20+/m0/s1 |
| InChIKey | HOFSYSONRIGEAC-UMQXSMKFSA-N |
| Mol Weight | 286.46 g/mol |
| Molecular Formula | C20H30O |
| Exact Mass | 286.229666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1TxWawk2Rlj |
|---|---|
| Name | Abietadien-18-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.229665585 u |
| Formula | C20H30O |
| InChI | InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18?,19-,20+/m0/s1 |
| InChIKey | HOFSYSONRIGEAC-UMQXSMKFSA-N |
| SMILES | [C@]12([C@@]3(C(C=C(CC3)C(C)C)=CCC1[C@@](C=O)(C)CCC2)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80506 |