| SpectraBase Spectrum ID |
B1JUW7juJ28 |
| Name |
Picamilon 2ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.116092380 u |
| Formula |
C12H16N2O3 |
| InChI |
InChI=1S/C12H16N2O3/c1-14(8-4-6-11(15)17-2)12(16)10-5-3-7-13-9-10/h3,5,7,9H,4,6,8H2,1-2H3 |
| InChIKey |
AYRHHZZIFQLYIU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.271 g/mol |
| Nominal Mass |
236 u |
| Quality |
998 |
| Retention Index |
1934 |
| SMILES |
C=1(C(N(CCCC(OC)=O)C)=O)C=NC=CC1 |
| SPLASH |
splash10-0a7j-3910000000-5340a2651904fcd19281 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 4-(methyl(pyridin-3-ylcarbonyl)amino)butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017116 |
