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N-Methylamino-4-nitro-2-(9-iodo-1,4,7-trioxanonyl)benzene

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

N-Methylamino-4-nitro-2-(9-iodo-1,4,7-trioxanonyl)benzene
SpectraBase Compound ID J6OUCVz24fq
InChI InChI=1S/C13H19IN2O5/c1-15-12-3-2-11(16(17)18)10-13(12)21-9-8-20-7-6-19-5-4-14/h2-3,10,15H,4-9H2,1H3
InChIKey YDUQOQBZZGEZEY-UHFFFAOYSA-N
Mol Weight 410.21 g/mol
Molecular Formula C13H19IN2O5
Exact Mass 410.033867 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1jDNAENllbL
Name N-Methylamino-4-nitro-2-(9-iodo-1,4,7-trioxanonyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.033866715 u
Formula C13H19IN2O5
InChI InChI=1S/C13H19IN2O5/c1-15-12-3-2-11(16(17)18)10-13(12)21-9-8-20-7-6-19-5-4-14/h2-3,10,15H,4-9H2,1H3
InChIKey YDUQOQBZZGEZEY-UHFFFAOYSA-N
Molecular Weight 410.208 g/mol
SMILES C=1(N(=O)=O)C=C(OCCOCCOCCI)C(=CC1)NC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85061