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4-Bromo-2-nitro-5-propoxyaniline, N,N-bis-acetyl

View entire compound with spectra: 1 FTIR

4-Bromo-2-nitro-5-propoxyaniline, N,N-bis-acetyl
SpectraBase Compound ID GVn5W3cmB0V
InChI InChI=1S/C13H15BrN2O5/c1-4-5-21-13-7-11(15(8(2)17)9(3)18)12(16(19)20)6-10(13)14/h6-7H,4-5H2,1-3H3
InChIKey AAMJMMWEORPQNN-UHFFFAOYSA-N
Mol Weight 359.18 g/mol
Molecular Formula C13H15BrN2O5
Exact Mass 358.016435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EXchuCMjCDB
Name 4-Bromo-2-nitro-5-propoxyaniline, N,N-bis-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.016434586 u
Formula C13H15BrN2O5
InChI InChI=1S/C13H15BrN2O5/c1-4-5-21-13-7-11(15(8(2)17)9(3)18)12(16(19)20)6-10(13)14/h6-7H,4-5H2,1-3H3
InChIKey AAMJMMWEORPQNN-UHFFFAOYSA-N
Molecular Weight 359.176 g/mol
SMILES C1(N(C(C)=O)C(C)=O)=C(C=C(C(=C1)OCCC)Br)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957556