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(E)-6-tetradecene-8,10,12-triyn-3-yl ethanoate

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

(E)-6-tetradecene-8,10,12-triyn-3-yl ethanoate
SpectraBase Compound ID 4CzCqmV4KRu
InChI InChI=1S/C16H18O2/c1-4-6-7-8-9-10-11-12-13-14-16(5-2)18-15(3)17/h11-12,16H,5,13-14H2,1-3H3/b12-11+
InChIKey SJTCRARDBAAKKS-VAWYXSNFSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LEgJTpSi2C9
Name (E)-6-Tetradecene-8,10,12-triyn-3-yl ethanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.130679818 u
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-4-6-7-8-9-10-11-12-13-14-16(5-2)18-15(3)17/h11-12,16H,5,13-14H2,1-3H3/b12-11+
InChIKey SJTCRARDBAAKKS-VAWYXSNFSA-N
Molecular Weight 242.318 g/mol
SMILES C(#CC#CC)C#C\C=C\CCC(OC(=O)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930288