| SpectraBase Compound ID | If7qCPPDtHM |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19+,20-/m0/s1 |
| InChIKey | RJIPNPHMQGDUBW-DJLVLGKWSA-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 | 8jlAiybAnFl |
|---|---|
| Name | (Kaura - 9(11),16 - dien - 19 - oic acid |
| 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/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19+,20-/m0/s1 |
| InChIKey | RJIPNPHMQGDUBW-DJLVLGKWSA-N |
| SMILES | C1=2[C@]3(CC(=C)[C@@](CC2)(C3)[H])CC[C@@]2([C@@]1(CCC[C@]2(C(=O)O)C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95621 |