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2,3-bis(oxidanyl)propyl 2-[(7-chloranylquinolin-4-yl)amino]benzoate
SpectraBase Compound ID CBWdf7gsQ2g
InChI InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
InChIKey GWOFUCIGLDBNKM-UHFFFAOYSA-N
Mol Weight 372.81 g/mol
Molecular Formula C19H17ClN2O4
Exact Mass 372.087685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YJhrF5TljM
Name Glafenin
CAS Registry Number 3820-67-5
Classification Pharmaceutical drug, analgesic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 372.087684731 u
Formula C19H17ClN2O4
InChI InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)
InChIKey GWOFUCIGLDBNKM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 372.808 g/mol
Nominal Mass 372 u
Quality 951
Retention Index 2892
SMILES OCC(COC(C=1C(NC=2C=3C(=CC(=CC3)Cl)N=CC2)=CC=CC1)=O)O
SPLASH splash10-0f89-0191000000-f34b1b2da110ee2342b7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,3-Dihydroxypropyl-2-[(7-chloroquinolin-4-yl)amino]benzoate
Technique GC/MS
Wiley ID DD2024_001559