| SpectraBase Compound ID | DAtC8EtcNXZ |
|---|---|
| InChI | InChI=1S/C26H46O5/c1-10-18(2)11-19(3)13-23(17-29-7)14-20(4)12-21(5)15-24(26(28)31-9)16-22(6)25(27)30-8/h12,15,18-20,22-23H,10-11,13-14,16-17H2,1-9H3/b21-12+,24-15-/t18-,19-,20+,22-,23-/m1/s1 |
| InChIKey | MVEIKUQSOYXSNQ-AHEAQEDASA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C26H46O5 |
| Exact Mass | 438.334525 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DXQ0rVkbVis |
|---|---|
| Name | Radiclonic acid, dimethyl ester monomethyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.334524576 u |
| Formula | C26H46O5 |
| InChI | InChI=1S/C26H46O5/c1-10-18(2)11-19(3)13-23(17-29-7)14-20(4)12-21(5)15-24(26(28)31-9)16-22(6)25(27)30-8/h12,15,18-20,22-23H,10-11,13-14,16-17H2,1-9H3/b21-12+,24-15-/t18-,19-,20+,22-,23-/m1/s1 |
| InChIKey | MVEIKUQSOYXSNQ-AHEAQEDASA-N |
| Molecular Weight | 438.649 g/mol |
| SMILES | COC[C@@](C[C@@](C)(\C=C/(C)\C=C\(C[C@@](C)(C(OC)=O)[H])C(OC)=O)[H])(C[C@](C)(C[C@](C)(CC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807797 |