| SpectraBase Compound ID | 1PXl1RfNpYn |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-8-6-4-3-5-7-9-2/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | HISYBDYKIBWIAB-GQCTYLIASA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 11oUgKGA2JF |
|---|---|
| Name | 5-Hydroxypentanal, 2me derivative (isomer 1) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-8-6-4-3-5-7-9-2/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | HISYBDYKIBWIAB-GQCTYLIASA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C(OC)CC\C=C\OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920907 |