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(E)-1-(4-Nitrophenyl)oct-3-en-1-yne

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(E)-1-(4-Nitrophenyl)oct-3-en-1-yne
SpectraBase Compound ID J03BjVs3h7z
InChI InChI=1S/C14H15NO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h5-6,9-12H,2-4H2,1H3/b6-5+
InChIKey LJUDWVAFWVLJLF-AATRIKPKSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AwX67ZnF1g
Name (E)-1-(4-Nitrophenyl)oct-3-en-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.110278725 u
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h5-6,9-12H,2-4H2,1H3/b6-5+
InChIKey LJUDWVAFWVLJLF-AATRIKPKSA-N
Molecular Weight 229.279 g/mol
SMILES C(#C\C=C\CCCC)C=1C=CC(=CC1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841517