| SpectraBase Compound ID | 9SiaCLRDHEX |
|---|---|
| InChI | InChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h4-5,7,9H,1-3H2 |
| InChIKey | URHLBJORXQXSQF-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ZO2APr1tTH |
|---|---|
| Name | 3-Hydroxy-1-cyclohexene-1-carbaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h4-5,7,9H,1-3H2 |
| InChIKey | URHLBJORXQXSQF-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C1=C(C=O)CCCC1O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80891 |