| SpectraBase Compound ID | 5dmtSmJRlTE |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-11(13)9-8-10-6-4-5-7-12(10)14-2/h3-7H,1,8-9H2,2H3 |
| InChIKey | AHJWCVHJOLQPBW-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9OItFBlnynR |
|---|---|
| Name | 5-(2-Methoxyphenyl)-1-penten-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-3-11(13)9-8-10-6-4-5-7-12(10)14-2/h3-7H,1,8-9H2,2H3 |
| InChIKey | AHJWCVHJOLQPBW-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C=1(C(OC)=CC=CC1)CCC(C=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885566 |