| SpectraBase Compound ID | HypSGmdPiuX |
|---|---|
| InChI | InChI=1S/C14H18O/c1-11(2)14(10-9-12(3)15)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3 |
| InChIKey | IEVTVVBBIMSMHV-UHFFFAOYSA-N |
| Mol Weight | 202.3 g/mol |
| Molecular Formula | C14H18O |
| Exact Mass | 202.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BNLVdJ1YuW7 |
|---|---|
| Name | 6-Methyl-5-phenyl-hept-5-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.135765199 u |
| Formula | C14H18O |
| InChI | InChI=1S/C14H18O/c1-11(2)14(10-9-12(3)15)13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3 |
| InChIKey | IEVTVVBBIMSMHV-UHFFFAOYSA-N |
| Molecular Weight | 202.297 g/mol |
| SMILES | CC(C)=C(C1=CC=CC=C1)CCC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89423 |