| SpectraBase Compound ID | 1MiU2SEc0ta |
|---|---|
| InChI | InChI=1S/C13H22O5/c1-6-8-11(18-13(4,5)16-8)10(14)9-7-15-12(2,3)17-9/h6,8-11,14H,1,7H2,2-5H3/t8-,9-,10-,11-/m1/s1 |
| InChIKey | ZQUFIYCCFZOXLJ-UHFFFAOYSA-N |
| Mol Weight | 258.31 g/mol |
| Molecular Formula | C13H22O5 |
| Exact Mass | 258.146724 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6rfnFNzHHXe |
|---|---|
| Name | Mannitol, 2,3:5,6-di-o-isoproyliden-1-C-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.146723803 u |
| Formula | C13H22O5 |
| InChI | InChI=1S/C13H22O5/c1-6-8-11(18-13(4,5)16-8)10(14)9-7-15-12(2,3)17-9/h6,8-11,14H,1,7H2,2-5H3 |
| InChIKey | ZQUFIYCCFZOXLJ-UHFFFAOYSA-N |
| Molecular Weight | 258.314 g/mol |
| SMILES | OC(C1C(C=C)OC(O1)(C)C)C1OC(OC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976487 |