| SpectraBase Compound ID | Grx26Zn6txy |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10-/t17-,19+,20+/m0/s1 |
| InChIKey | OEPTXZKKXAKLNP-CAPRJZRZSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EqsWa4INPvT |
|---|---|
| Name | Eunicenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10-/t17-,19+,20+/m0/s1 |
| InChIKey | OEPTXZKKXAKLNP-CAPRJZRZSA-N |
| SMILES | [C@@]12(O[C@@]1(C[C@](CC(\C(=C/CC\C(=C\CC2)C)C)=O)(C(=C)C)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977777 |