| SpectraBase Compound ID | 6l5615brGO1 |
|---|---|
| InChI | InChI=1S/C17H23NO2/c1-14(19)7-8-16-9-11-18(12-10-17(16)20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3 |
| InChIKey | VRHAPKXXRJUFQL-UHFFFAOYSA-N |
| Mol Weight | 273.38 g/mol |
| Molecular Formula | C17H23NO2 |
| Exact Mass | 273.172879 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KRTYblkazGU |
|---|---|
| Name | 1-Benzyl-5-(3-ketobutyl)azepan-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.172878983 u |
| Formula | C17H23NO2 |
| InChI | InChI=1S/C17H23NO2/c1-14(19)7-8-16-9-11-18(12-10-17(16)20)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3 |
| InChIKey | VRHAPKXXRJUFQL-UHFFFAOYSA-N |
| SMILES | C1N(CCC(C(C1)=O)CCC(=O)C)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968939 |