| SpectraBase Compound ID | 4fXcRlU4Pmm |
|---|---|
| InChI | InChI=1S/C12H21NO2/c1-3-14-12(15-4-2)8-7-11-13-9-5-6-10-13/h12H,3-6,9-11H2,1-2H3 |
| InChIKey | AMAUSRKDHQOTEP-UHFFFAOYSA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IWLXXx1NMZP |
|---|---|
| Name | 1-Pyrrolidinetetrolaldehyde, diethyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.157228918 u |
| Formula | C12H21NO2 |
| InChI | InChI=1S/C12H21NO2/c1-3-14-12(15-4-2)8-7-11-13-9-5-6-10-13/h12H,3-6,9-11H2,1-2H3 |
| InChIKey | AMAUSRKDHQOTEP-UHFFFAOYSA-N |
| Molecular Weight | 211.305 g/mol |
| SMILES | C1CCCN1CC#CC(OCC)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.986284 |