| SpectraBase Compound ID | 8XQCg4D7zHI |
|---|---|
| InChI | InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1 |
| InChIKey | TYLFLHPQWQQWRD-UHNVWZDZSA-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 | EDdZrJ8s84M |
|---|---|
| Name | (2R,3S)-2-(Hydroxymethyl)-3-pyrrolidinol |
| 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/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1 |
| InChIKey | TYLFLHPQWQQWRD-UHNVWZDZSA-N |
| Molecular Weight | 117.148 g/mol |
| SMILES | [C@]1(NCC[C@@]1(O)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899429 |