![4-Butyl-4-azaspiro[2.4]heptan-5-one](/api/spectrum/C2sNZPXl8X4/structure.png?h=300&w=458 "4-Butyl-4-azaspiro[2.4]heptan-5-one")
| SpectraBase Compound ID | 1guwrcaBDar |
|---|---|
| InChI | InChI=1S/C10H17NO/c1-2-3-8-11-9(12)4-5-10(11)6-7-10/h2-8H2,1H3 |
| InChIKey | YWZLERXEYMPGMO-UHFFFAOYSA-N |
| Mol Weight | 167.25 g/mol |
| Molecular Formula | C10H17NO |
| Exact Mass | 167.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C2sNZPXl8X4 |
|---|---|
| Name | 4-Butyl-4-azaspiro[2.4]heptan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.131014170 u |
| Formula | C10H17NO |
| InChI | InChI=1S/C10H17NO/c1-2-3-8-11-9(12)4-5-10(11)6-7-10/h2-8H2,1H3 |
| InChIKey | YWZLERXEYMPGMO-UHFFFAOYSA-N |
| Molecular Weight | 167.252 g/mol |
| SMILES | C1CC11N(CCCC)C(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895182 |