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2-Bromanyl-1-hept-1-ynyl-4-nitro-benzene
SpectraBase Compound ID 5fujfLIN5JU
InChI InChI=1S/C13H14BrNO2/c1-2-3-4-5-6-7-11-8-9-12(15(16)17)10-13(11)14/h8-10H,2-5H2,1H3
InChIKey MXXUSANKEFTBDA-UHFFFAOYSA-N
Mol Weight 296.16 g/mol
Molecular Formula C13H14BrNO2
Exact Mass 295.020792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqbI3UuZZEb
Name 2-Bromanyl-1-hept-1-ynyl-4-nitro-benzene
Alternate Name(s) 2-Bromo-1-(1-heptynyl)-4-nitrobenzene 2-Bromo-1-hept-1-ynyl-4-nitro-benzene
CAS Registry Number 121866-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14BrNO2
InChI InChI=1S/C13H14BrNO2/c1-2-3-4-5-6-7-11-8-9-12(15(16)17)10-13(11)14/h8-10H,2-5H2,1H3
InChIKey MXXUSANKEFTBDA-UHFFFAOYSA-N
Molecular Weight 296.164 g/mol
SMILES c1(N(=O)=O)cc(Br)c(C#CCCCCC)cc1
SPLASH splash10-001j-0290000000-cd25e42be234c4e3ca37
Source of Spectrum J-54-4456-2
Wiley ID 1297991