| SpectraBase Compound ID | GuCyuX6Ege4 |
|---|---|
| InChI | InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-14-18(19)16-12-11-13-17(15-16)20-2/h11-13,15H,3-9H2,1-2H3 |
| InChIKey | MEUOGGVCHQYVJE-UHFFFAOYSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C18H24O2 |
| Exact Mass | 272.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | hnaOdKYPEm |
|---|---|
| Name | 1-(3-Methoxyphenyl)undec-2-yn-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.177630011 u |
| Formula | C18H24O2 |
| InChI | InChI=1S/C18H24O2/c1-3-4-5-6-7-8-9-10-14-18(19)16-12-11-13-17(15-16)20-2/h11-13,15H,3-9H2,1-2H3 |
| InChIKey | MEUOGGVCHQYVJE-UHFFFAOYSA-N |
| SMILES | C(#CCCCCCCCC)C(C1=CC(OC)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857833 |