SpectraBase Spectrum ID |
JFQhp38vgJc |
Name |
Carvedilol-A VI |
Classification |
Pharmaceutical drug artifact |
Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
239.115758027 u |
Formula |
C12H17NO4 |
InChI |
InChI=1S/C12H17NO4/c1-16-11-4-2-3-5-12(11)17-7-6-13-8-10(15)9-14/h2-5,13-14H,6-9H2,1H3 |
InChIKey |
XPRYRITXZSXSSH-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
239.271 g/mol |
Nominal Mass |
239 u |
Quality |
881 |
Retention Index |
1818 |
SMILES |
OCC(CNCCOC=1C(=CC=CC1)OC)=O |
SPLASH |
splash10-00di-1790000000-d055bafe57d9ad085e29 |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-hydroxy-3-((2-(2-methoxyphenoxy)ethyl)amino)propan-2-one |
Technique |
GC/MS |
Wiley ID |
DD2024_000475 |