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Methyl 2-[2-(4-bromophenylethynyl)phenoxy]phenyl]carbamate
SpectraBase Compound ID L7XC10odYdy
InChI InChI=1S/C22H16BrNO3/c1-26-22(25)24-19-7-3-5-9-21(19)27-20-8-4-2-6-17(20)13-10-16-11-14-18(23)15-12-16/h2-9,11-12,14-15H,1H3,(H,24,25)
InChIKey QUZIHURFQKQOMO-UHFFFAOYSA-N
Mol Weight 422.28 g/mol
Molecular Formula C22H16BrNO3
Exact Mass 421.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xuyu4vyyG
Name Methyl 2-[2-(4-bromophenylethynyl)phenoxy]phenyl]carbamate
Appearance Yellow solid
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Exact Mass 421.031356376 u
Formula C22H16BrNO3
InChI InChI=1S/C22H16BrNO3/c1-26-22(25)24-19-7-3-5-9-21(19)27-20-8-4-2-6-17(20)13-10-16-11-14-18(23)15-12-16/h2-9,11-12,14-15H,1H3,(H,24,25)
InChIKey QUZIHURFQKQOMO-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010 GC-MS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201504443
Molecular Weight 422.278 g/mol
Quality 197
SMILES N(C1=C(C=CC=C1)OC1=CC=CC=C1C#CC1=CC=C(C=C1)Br)C(OC)=O
SPLASH splash10-00di-0139600000-8caa42fa45776a2fb637
Source of Spectrum QE-22-3061-2b (DOI: 10.1002/chem.201504443)
Wiley ID 1905398