| SpectraBase Compound ID | KA9EHdtmQ42 |
|---|---|
| InChI | InChI=1S/C8H15NO2/c1-2-11-8(10)4-7-9-5-3-6-9/h2-7H2,1H3 |
| InChIKey | JHEBCRMYKMBVBX-UHFFFAOYSA-N |
| Mol Weight | 157.21 g/mol |
| Molecular Formula | C8H15NO2 |
| Exact Mass | 157.110279 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 11SF0CIvEAB |
|---|---|
| Name | 3-(Azetidin-1-yl)propionic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.110278725 u |
| Formula | C8H15NO2 |
| InChI | InChI=1S/C8H15NO2/c1-2-11-8(10)4-7-9-5-3-6-9/h2-7H2,1H3 |
| InChIKey | JHEBCRMYKMBVBX-UHFFFAOYSA-N |
| Molecular Weight | 157.213 g/mol |
| SMILES | C(OCC)(CCN1CCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.900166 |