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Dec-9-enyl (E)-hex-3-enoate

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Dec-9-enyl (E)-hex-3-enoate
SpectraBase Compound ID GWFBmsZ57F4
InChI InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3,6,12H,1,4-5,7-11,13-15H2,2H3/b12-6+
InChIKey VITFGUFRLJRLAY-WUXMJOGZSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 81AfDqDQqmx
Name dec-9-Enyl (E)-hex-3-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-3-5-7-8-9-10-11-13-15-18-16(17)14-12-6-4-2/h3,6,12H,1,4-5,7-11,13-15H2,2H3/b12-6+
InChIKey VITFGUFRLJRLAY-WUXMJOGZSA-N
Molecular Weight 252.398 g/mol
SMILES C(=O)(OCCCCCCCCC=C)C\C=C\CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915254