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t-Butyl (3-bromo-4-(2-bromophenoxy)phenyl)(methyl)carbamate
SpectraBase Compound ID GDUCABxXttl
InChI InChI=1S/C18H19Br2NO3/c1-18(2,3)24-17(22)21(4)12-9-10-16(14(20)11-12)23-15-8-6-5-7-13(15)19/h5-11H,1-4H3
InChIKey NLIAARZNMXGYOG-UHFFFAOYSA-N
Mol Weight 457.16 g/mol
Molecular Formula C18H19Br2NO3
Exact Mass 454.973169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aFKSqbxY9v
Name t-Butyl (3-bromo-4-(2-bromophenoxy)phenyl)(methyl)carbamate
Appearance White solid
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Exact Mass 454.973169473 u
Formula C18H19Br2NO3
InChI InChI=1S/C18H19Br2NO3/c1-18(2,3)24-17(22)21(4)12-9-10-16(14(20)11-12)23-15-8-6-5-7-13(15)19/h5-11H,1-4H3
InChIKey NLIAARZNMXGYOG-UHFFFAOYSA-N
Instrument Name JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612535
Molecular Weight 457.162 g/mol
Quality 210
Reported Formula C18H19Br2NO3
SMILES C(OC(C)(C)C)(N(C)C1=CC(=C(C=C1)OC1=C(C=CC=C1)Br)Br)=O
SPLASH splash10-0pb9-3029700000-ab46ba868f5c89129d7c
Source of Spectrum ACI-56-SM11-3n (DOI: 10.1002/anie.201612535)
Thin-Layer Chromatography 0.49 (Hexane/EtOAc, 5/1)
Wiley ID 1892879