| SpectraBase Compound ID | G5Ef41qFmzT |
|---|---|
| InChI | InChI=1S/C12H14O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2 |
| InChIKey | VKJUDGCJQPOBGI-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FYHw3msLGWD |
|---|---|
| Name | 1-Phenylhex-5-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h2,4-8H,1,3,9-10H2 |
| InChIKey | VKJUDGCJQPOBGI-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(C(CCC=C)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830232 |