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2,2,2-trichloroethyl N-[2-(4-bromo-2,5-dimethoxy-phenyl)-2-oxo-ethyl]carbamate
SpectraBase Compound ID A5MrA8cFr6D
InChI InChI=1S/C13H13BrCl3NO5/c1-21-10-4-8(14)11(22-2)3-7(10)9(19)5-18-12(20)23-6-13(15,16)17/h3-4H,5-6H2,1-2H3,(H,18,20)
InChIKey UEQNGCRCUKTUJQ-UHFFFAOYSA-N
Mol Weight 449.51 g/mol
Molecular Formula C13H13BrCl3NO5
Exact Mass 446.904269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WiBTi1gXoy
Name 2,2,2-trichloroethyl N-[2-(4-bromo-2,5-dimethoxy-phenyl)-2-oxo-ethyl]carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrCl3NO5
InChI InChI=1S/C13H13BrCl3NO5/c1-21-10-4-8(14)11(22-2)3-7(10)9(19)5-18-12(20)23-6-13(15,16)17/h3-4H,5-6H2,1-2H3,(H,18,20)
InChIKey UEQNGCRCUKTUJQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.7211
Molecular Weight 449.512 g/mol
SMILES N(CC(c1cc(c(cc1OC)Br)OC)=O)C(OCC(Cl)(Cl)Cl)=O
SPLASH splash10-0007-1290000000-2d94b3cf3cf156663c23
Source of Spectrum RCM-29-1198-Fig.2(a)
Synonyms 2,2,2-trichloroethyl (2-(4-bromo-2,5-dimethoxyphenyl)-2-oxoethyl)carbamate
Wiley ID 1814972