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1-Allyloxy-4-nitro-2-(prop-1-enyl)benzene

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

1-Allyloxy-4-nitro-2-(prop-1-enyl)benzene
SpectraBase Compound ID ImOZBSpMy6K
InChI InChI=1S/C12H13NO3/c1-3-5-10-9-11(13(14)15)6-7-12(10)16-8-4-2/h3-7,9H,2,8H2,1H3/b5-3+
InChIKey ZPFCFAUCAARHQS-HWKANZROSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92BOhjh8JJn
Name 1-Allyloxy-4-nitro-2-(prop-1-enyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.089543280 u
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-3-5-10-9-11(13(14)15)6-7-12(10)16-8-4-2/h3-7,9H,2,8H2,1H3/b5-3+
InChIKey ZPFCFAUCAARHQS-HWKANZROSA-N
Molecular Weight 219.240 g/mol
SMILES C=1(N(=O)=O)C=C(\C=C\C)C(=CC1)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946277