| SpectraBase Compound ID | 3eeALDOOcZ0 |
|---|---|
| InChI | InChI=1S/C5H11NO2/c7-2-4-1-5(3-8)6-4/h4-8H,1-3H2/t4-,5-/m0/s1 |
| InChIKey | RVXDNESKZYUPKO-WHFBIAKZSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C5H11NO2 |
| Exact Mass | 117.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FdAz7fdJNL6 |
|---|---|
| Name | (2S,4S)-Azetidine-2,4-dimethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.078978596 u |
| Formula | C5H11NO2 |
| InChI | InChI=1S/C5H11NO2/c7-2-4-1-5(3-8)6-4/h4-8H,1-3H2/t4-,5-/m0/s1 |
| InChIKey | RVXDNESKZYUPKO-WHFBIAKZSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | [C@]1(N[C@@](C1)(CO)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864629 |