| SpectraBase Compound ID | BQCzYXv3E2d |
|---|---|
| InChI | InChI=1S/C13H17NO/c15-13-9-5-2-6-10-14(13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey | DJGIITKNTHQYPX-UHFFFAOYSA-N |
| Mol Weight | 203.28 g/mol |
| Molecular Formula | C13H17NO |
| Exact Mass | 203.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IUM0m1UCsF9 |
|---|---|
| Name | 1-(Phenylmethyl)-2-azepanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.131014170 u |
| Formula | C13H17NO |
| InChI | InChI=1S/C13H17NO/c15-13-9-5-2-6-10-14(13)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2 |
| InChIKey | DJGIITKNTHQYPX-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | C1(N(CCCCC1)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936729 |