| SpectraBase Compound ID | G1cwdZkAXUB |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-10(14)3-2-4-11-5-7-12(9-13)8-6-11/h5-10,14H,3H2,1H3 |
| InChIKey | YDPPOHPLRFRODV-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GsqH2GVzHSx |
|---|---|
| Name | 4-(4-Hydroxypent-1-ynyl)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/c1-10(14)3-2-4-11-5-7-12(9-13)8-6-11/h5-10,14H,3H2,1H3 |
| InChIKey | YDPPOHPLRFRODV-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | C(#CCC(C)O)C=1C=CC(=CC1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879853 |