| SpectraBase Compound ID | B6TAPLNb5LJ |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | BDXUPRHNPQNYBK-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jnzq8LJVWzo |
|---|---|
| Name | 1-(2-Methoxyphenyl)pentan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-4-8-11(13)10-7-5-6-9-12(10)14-2/h5-7,9H,3-4,8H2,1-2H3 |
| InChIKey | BDXUPRHNPQNYBK-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1=CC=CC(=C1OC)C(CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947685 |