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3,3-Dibromo-2-(4-methoxyphenyl)-1-pyrroline

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

3,3-Dibromo-2-(4-methoxyphenyl)-1-pyrroline
SpectraBase Compound ID HB17n5XGcgx
InChI InChI=1S/C11H11Br2NO/c1-15-9-4-2-8(3-5-9)10-11(12,13)6-7-14-10/h2-5H,6-7H2,1H3
InChIKey BDMQYWAKAAJPBA-UHFFFAOYSA-N
Mol Weight 333.02 g/mol
Molecular Formula C11H11Br2NO
Exact Mass 330.92074 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IaoUVkR8U5A
Name 3,3-Dibromo-2-(4-methoxyphenyl)-1-pyrroline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.920739977 u
Formula C11H11Br2NO
InChI InChI=1S/C11H11Br2NO/c1-15-9-4-2-8(3-5-9)10-11(12,13)6-7-14-10/h2-5H,6-7H2,1H3
InChIKey BDMQYWAKAAJPBA-UHFFFAOYSA-N
Molecular Weight 333.023 g/mol
SMILES C1(C(=NCC1)C=1C=CC(=CC1)OC)(Br)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950077