| SpectraBase Compound ID | 9lCGHRGPVfY |
|---|---|
| InChI | InChI=1S/C7H14O5/c1-4-11-5(2-8)7(10)6(3-9)12-4/h4-10H,2-3H2,1H3 |
| InChIKey | LZMJHWICPPOPKM-UHFFFAOYSA-N |
| Mol Weight | 178.18 g/mol |
| Molecular Formula | C7H14O5 |
| Exact Mass | 178.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 93iEOMDjluv |
|---|---|
| Name | 2,4-Monoethylidene-L-xylitol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.084123546 u |
| Formula | C7H14O5 |
| InChI | InChI=1S/C7H14O5/c1-4-11-5(2-8)7(10)6(3-9)12-4/h4-10H,2-3H2,1H3 |
| InChIKey | LZMJHWICPPOPKM-UHFFFAOYSA-N |
| Molecular Weight | 178.184 g/mol |
| SMILES | C1(OC(OC(C1O)CO)C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971022 |