| SpectraBase Compound ID | HexOdnKTedP |
|---|---|
| InChI | InChI=1S/C12H12O2/c1-10(13)4-3-5-11-6-8-12(14-2)9-7-11/h4-9H,1-2H3 |
| InChIKey | BLGNUSWAOGHQHT-UHFFFAOYSA-N |
| Mol Weight | 188.23 g/mol |
| Molecular Formula | C12H12O2 |
| Exact Mass | 188.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | J4RW3vKh1Uj |
|---|---|
| Name | 5-(4-Methoxyphenyl)penta-3,4-dien-2-one |
| 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(13)4-3-5-11-6-8-12(14-2)9-7-11/h4-9H,1-2H3 |
| InChIKey | BLGNUSWAOGHQHT-UHFFFAOYSA-N |
| Molecular Weight | 188.226 g/mol |
| SMILES | CC(C=C=CC=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946739 |