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Carvedilol-A VI
SpectraBase Compound ID HUTphktq7nD
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
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFQhp38vgJc
Name Carvedilol-A VI
Classification Pharmaceutical drug artifact
Copyright Copyright © 2024 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