| SpectraBase Compound ID | 6rCYn2rkp4r |
|---|---|
| InChI | InChI=1S/C13H20N2O2/c1-3-15(4-2)8-9-17-13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,14H2,1-2H3 |
| InChIKey | MJBPJVLUWNYUHH-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C13H20N2O2 |
| Exact Mass | 236.152478 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1CSVJZWHw1N |
|---|---|
| Name | Procaine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.152477890 u |
| Formula | C13H20N2O2 |
| InChI | InChI=1S/C13H20N2O2/c1-3-15(4-2)8-9-17-13(16)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,14H2,1-2H3 |
| InChIKey | MJBPJVLUWNYUHH-UHFFFAOYSA-N |
| Molecular Weight | 236.315 g/mol |
| SMILES | NC=1C=C(C=CC1)C(OCCN(CC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.954051 |