| SpectraBase Compound ID | BQ8PRD8XywM |
|---|---|
| InChI | InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2,4,6H,3,5H2,1H3 |
| InChIKey | QZYMQVIZBSJMAV-UHFFFAOYSA-N |
| Mol Weight | 122.17 g/mol |
| Molecular Formula | C8H10O |
| Exact Mass | 122.073165 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AoZcJrpplV |
|---|---|
| Name | 1,3-Cyclohexadiene-1-carboxaldehyde, 4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.073164941 u |
| Formula | C8H10O |
| InChI | InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2,4,6H,3,5H2,1H3 |
| InChIKey | QZYMQVIZBSJMAV-UHFFFAOYSA-N |
| Molecular Weight | 122.167 g/mol |
| SMILES | C1C(=CC=C(C1)C)C=O |
| Spectrum/Structure Validation Score (Raman) | 0.951966 |