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1-(4-Nitrophenyl)-1,3-heptadiene

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-(4-Nitrophenyl)-1,3-heptadiene
SpectraBase Compound ID 51S7y3HVbcL
InChI InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h4-11H,2-3H2,1H3/b5-4+,7-6-
InChIKey CLBDSAOGSBTQSR-DEQVHDEQSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ALFX2q4m5t1
Name 1-(4-Nitrophenyl)-1,3-heptadiene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.110278725 u
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h4-11H,2-3H2,1H3/b5-4+,7-6-
InChIKey CLBDSAOGSBTQSR-DEQVHDEQSA-N
Molecular Weight 217.268 g/mol
SMILES C1(N(=O)=O)=CC=C(\C=C/C=C/CCC)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870465