| SpectraBase Compound ID | DtFTIKQNXSU |
|---|---|
| InChI | InChI=1S/C14H14O/c1-11(15)6-7-12-8-9-13-4-2-3-5-14(13)10-12/h2-5,8-10H,6-7H2,1H3 |
| InChIKey | ZGJUXLRCZXCYTO-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C14H14O |
| Exact Mass | 198.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 26MQxTettJS |
|---|---|
| Name | 4-(2-Naphthyl)butan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.104465070 u |
| Formula | C14H14O |
| InChI | InChI=1S/C14H14O/c1-11(15)6-7-12-8-9-13-4-2-3-5-14(13)10-12/h2-5,8-10H,6-7H2,1H3 |
| InChIKey | ZGJUXLRCZXCYTO-UHFFFAOYSA-N |
| Molecular Weight | 198.265 g/mol |
| SMILES | C12=CC(CCC(=O)C)=CC=C2C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959875 |