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6-Bromo-4-[2-[(tert-butoxycarbonyl)amino]phenyl]-5,8-dimethoxyquinoline
SpectraBase Compound ID JQKSpjCceiV
InChI InChI=1S/C22H23BrN2O4/c1-22(2,3)29-21(26)25-16-9-7-6-8-13(16)14-10-11-24-19-17(27-4)12-15(23)20(28-5)18(14)19/h6-12H,1-5H3,(H,25,26)
InChIKey QABOKOFIWROARI-UHFFFAOYSA-N
Mol Weight 459.34 g/mol
Molecular Formula C22H23BrN2O4
Exact Mass 458.08412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UMlUaP8uMO
Name 6-Bromo-4-[2-[(tert-butoxycarbonyl)amino]phenyl]-5,8-dimethoxyquinoline
Alternate Name(s) tert-Butyl 2-(6-bromo-5,8-dimethoxy-4-quinolinyl)phenylcarbamate
CAS Registry Number 133400-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23BrN2O4
InChI InChI=1S/C22H23BrN2O4/c1-22(2,3)29-21(26)25-16-9-7-6-8-13(16)14-10-11-24-19-17(27-4)12-15(23)20(28-5)18(14)19/h6-12H,1-5H3,(H,25,26)
InChIKey QABOKOFIWROARI-UHFFFAOYSA-N
Molecular Weight 459.340 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(-c2c3c(c(OC)cc(c3OC)Br)ncc2)cccc1
SPLASH splash10-004i-0069100000-6b05189589403e9c2620
Source of Spectrum J-56-3500-15
Wiley ID 1389798