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5-Benzyloxy-4-bromo-2-nitroaniline, N-methyl

View entire compound with spectra: 1 FTIR

5-Benzyloxy-4-bromo-2-nitroaniline, N-methyl
SpectraBase Compound ID FESuthGqNTR
InChI InChI=1S/C14H13BrN2O3/c1-16-12-8-14(11(15)7-13(12)17(18)19)20-9-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3
InChIKey WQSZIOSISUXJOY-UHFFFAOYSA-N
Mol Weight 337.17 g/mol
Molecular Formula C14H13BrN2O3
Exact Mass 336.010955 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GF7Rl2NI4yn
Name 5-Benzyloxy-4-bromo-2-nitroaniline, N-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.010955284 u
Formula C14H13BrN2O3
InChI InChI=1S/C14H13BrN2O3/c1-16-12-8-14(11(15)7-13(12)17(18)19)20-9-10-5-3-2-4-6-10/h2-8,16H,9H2,1H3
InChIKey WQSZIOSISUXJOY-UHFFFAOYSA-N
Molecular Weight 337.173 g/mol
SMILES C1(OCC2=CC=CC=C2)=CC(NC)=C(N(=O)=O)C=C1Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807404