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4-((2-Bromophenyl)ethynyl)-1-methyl-2-nitrobenzene

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-((2-Bromophenyl)ethynyl)-1-methyl-2-nitrobenzene
SpectraBase Compound ID 9AvP3zRFUY0
InChI InChI=1S/C15H10BrNO2/c1-11-6-7-12(10-15(11)17(18)19)8-9-13-4-2-3-5-14(13)16/h2-7,10H,1H3
InChIKey LOFAWBPNESZKIO-UHFFFAOYSA-N
Mol Weight 316.15 g/mol
Molecular Formula C15H10BrNO2
Exact Mass 314.989492 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3sLt1HvduvX
Name 4-((2-Bromophenyl)ethynyl)-1-methyl-2-nitrobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.989491564 u
Formula C15H10BrNO2
InChI InChI=1S/C15H10BrNO2/c1-11-6-7-12(10-15(11)17(18)19)8-9-13-4-2-3-5-14(13)16/h2-7,10H,1H3
InChIKey LOFAWBPNESZKIO-UHFFFAOYSA-N
Molecular Weight 316.154 g/mol
SMILES C=1C=C(C(Br)=CC1)C#CC1=CC=C(C(=C1)[N+](=O)[O-])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893292