| SpectraBase Compound ID | 4WEPoc3gql6 |
|---|---|
| InChI | InChI=1S/C19H32O5/c1-7-22-16-14-11(2)8-13(24-12(3)20)15-17(4,5)9-18(6,10-23-16)19(14,15)21/h11,13-16,21H,7-10H2,1-6H3/t11-,13+,14?,15+,16+,18-,19-/m1/s1 |
| InChIKey | WHUXVDLUTVAUME-QXONOJGQSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C19H32O5 |
| Exact Mass | 340.224974 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L1b4rd2QVHr |
|---|---|
| Name | Ethyl ether of dihydrobotrydial |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.224974125 u |
| Formula | C19H32O5 |
| InChI | InChI=1S/C19H32O5/c1-7-22-16-14-11(2)8-13(24-12(3)20)15-17(4,5)9-18(6,10-23-16)19(14,15)21/h11,13-16,21H,7-10H2,1-6H3/t11-,13+,14?,15+,16+,18-,19-/m1/s1 |
| InChIKey | WHUXVDLUTVAUME-QXONOJGQSA-N |
| Molecular Weight | 340.460 g/mol |
| SMILES | [C@@]12([C@@]3(CC([C@@]2([C@](C[C@](C1[C@](OC3)(OCC)[H])(C)[H])(OC(=O)C)[H])[H])(C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923263 |