| SpectraBase Compound ID | E1wgTMciVDh |
|---|---|
| InChI | InChI=1S/C20H34O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h14,16-17H,2,6-13H2,1,3-5H3,(H,21,22)/t14-,16+,17+,20-/m0/s1 |
| InChIKey | NALGVVPRJHXHNM-MCNSXXNHSA-N |
| Mol Weight | 306.5 g/mol |
| Molecular Formula | C20H34O2 |
| Exact Mass | 306.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5gQDnqSyxi |
|---|---|
| Name | (-)-eperuic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.255880333 u |
| Formula | C20H34O2 |
| InChI | InChI=1S/C20H34O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h14,16-17H,2,6-13H2,1,3-5H3,(H,21,22)/t14-,16+,17+,20-/m0/s1 |
| InChIKey | NALGVVPRJHXHNM-MCNSXXNHSA-N |
| SMILES | C(=O)(C[C@](CC[C@@]1(C(CC[C@@]2(C(CCC[C@@]12C)(C)C)[H])=C)[H])(C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955452 |