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4-(3-Bromopropoxy)-5-methoxy-2-nitrobenzaldehyde

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

4-(3-Bromopropoxy)-5-methoxy-2-nitrobenzaldehyde
SpectraBase Compound ID 4K8HKteRZ5
InChI InChI=1S/C11H12BrNO5/c1-17-10-5-8(7-14)9(13(15)16)6-11(10)18-4-2-3-12/h5-7H,2-4H2,1H3
InChIKey OXOGJQOBCNDQEC-UHFFFAOYSA-N
Mol Weight 318.12 g/mol
Molecular Formula C11H12BrNO5
Exact Mass 316.989885 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Sm1by7X8lQ
Name 4-(3-Bromopropoxy)-5-methoxy-2-nitrobenzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.989885485 u
Formula C11H12BrNO5
InChI InChI=1S/C11H12BrNO5/c1-17-10-5-8(7-14)9(13(15)16)6-11(10)18-4-2-3-12/h5-7H,2-4H2,1H3
InChIKey OXOGJQOBCNDQEC-UHFFFAOYSA-N
Molecular Weight 318.123 g/mol
SMILES C=1C(N(=O)=O)=C(C=C(C1OCCCBr)OC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832097