| SpectraBase Compound ID | B40ZSp8sKZd |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-4-6-9-17(3)13(5-2)16(18)12-7-8-14-15(10-12)20-11-19-14/h7-8,10,13H,4-6,9,11H2,1-3H3 |
| InChIKey | UTAKJRHVMCDEKE-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FBkU2Dij8ji |
|---|---|
| Name | N-Butylbutylone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-4-6-9-17(3)13(5-2)16(18)12-7-8-14-15(10-12)20-11-19-14/h7-8,10,13H,4-6,9,11H2,1-3H3 |
| InChIKey | UTAKJRHVMCDEKE-UHFFFAOYSA-N |
| SMILES | C=1(C(C(N(CCCC)C)CC)=O)C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922863 |