![Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-](/api/spectrum/KpkRXbAKUMW/structure.png?h=300&w=458 "Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-")
| SpectraBase Compound ID | 3LD9N8TSv4C |
|---|---|
| InChI | InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h6,9H,1-5,7-8H2 |
| InChIKey | UWMPHMYUITTYTD-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KpkRXbAKUMW |
|---|---|
| Name | Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c10-6-2-4-8-12-9-5-1-3-7-11-9/h6,9H,1-5,7-8H2 |
| InChIKey | UWMPHMYUITTYTD-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(=O)CCCOC1OCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957583 |