| SpectraBase Spectrum ID |
DoW9NefBiFs |
| Name |
Procaine |
| CAS Registry Number |
59-46-1 |
| Classification |
Pharmaceutical drug, local anesthetic |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.152477890 u |
| Formula |
C13H20N2O2 |
| InChI |
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3 |
| InChIKey |
MFDFERRIHVXMIY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.315 g/mol |
| Nominal Mass |
236 u |
| Quality |
994 |
| Retention Index |
2018 |
| SMILES |
NC=1C=CC(C(OCCN(CC)CC)=O)=CC1 |
| SPLASH |
splash10-000i-9200000000-065d4fc7ba54a3d0e8f1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Diethylaminoethyl-4-amino benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031043 |
