| SpectraBase Compound ID | JBf4WKn0lSV |
|---|---|
| InChI | InChI=1S/C9H16O3/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h7-10H,1-6H2 |
| InChIKey | XIOVVSKIBGHZDH-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 | B3Y5kqjNr7p |
|---|---|
| Name | 2-(Carboxaldehyde ethylene acetal)cyclohexanol |
| 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/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h7-10H,1-6H2 |
| InChIKey | XIOVVSKIBGHZDH-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C1(C2OCCO2)C(O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89966 |