| SpectraBase Compound ID | JTrGdBD7qgG |
|---|---|
| InChI | InChI=1S/C10H15NO2/c1-7(12)6-8-2-4-11-5-3-9(13)10(8)11/h8,10H,2-6H2,1H3 |
| InChIKey | SPCPOBJAQIIYED-UHFFFAOYSA-N |
| Mol Weight | 181.23 g/mol |
| Molecular Formula | C10H15NO2 |
| Exact Mass | 181.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ALyxSmiqHy2 |
|---|---|
| Name | Pyrrolizidine-1-one, 7-acetylmethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.110278725 u |
| Formula | C10H15NO2 |
| InChI | InChI=1S/C10H15NO2/c1-7(12)6-8-2-4-11-5-3-9(13)10(8)11/h8,10H,2-6H2,1H3 |
| InChIKey | SPCPOBJAQIIYED-UHFFFAOYSA-N |
| Molecular Weight | 181.235 g/mol |
| SMILES | CC(=O)CC1CCN2C1C(=O)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928982 |