| SpectraBase Compound ID | FVgEvoMp2wj |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-12(2,14)7-6-10-4-3-5-11(8-10)9-13/h3-5,8-9,14H,1-2H3 |
| InChIKey | FTEMIQJGOVSOPL-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2IdGxzDacA9 |
|---|---|
| Name | m-(3-Hydroxy-3-methyl-1-butynyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.083729624 u |
| Formula | C12H12O2 |
| InChI | InChI=1S/C12H12O2/c1-12(2,14)7-6-10-4-3-5-11(8-10)9-13/h3-5,8-9,14H,1-2H3 |
| InChIKey | FTEMIQJGOVSOPL-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | OC(C#CC=1C=C(C=CC1)C=O)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.708159 |