| SpectraBase Compound ID | JZbfRATepBG |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3 |
| InChIKey | GDNTZLJAPCYKJR-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BmEbIY0mzAj |
|---|---|
| Name | 1-Hexanone, 1-(4-methoxyphenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.130679818 u |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3 |
| InChIKey | GDNTZLJAPCYKJR-UHFFFAOYSA-N |
| Molecular Weight | 206.285 g/mol |
| SMILES | C(=O)(C1=CC=C(C=C1)OC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956507 |