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2-Methylbutyl 8-methylnon-6-enoate

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Methylbutyl 8-methylnon-6-enoate
SpectraBase Compound ID KjDrB2Wflo8
InChI InChI=1S/C15H28O2/c1-5-14(4)12-17-15(16)11-9-7-6-8-10-13(2)3/h8,10,13-14H,5-7,9,11-12H2,1-4H3/b10-8+
InChIKey PLTRJLWIJLCEOL-CSKARUKUSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JJLzx0PH6ap
Name 2-Methylbutyl 8-methylnon-6-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-5-14(4)12-17-15(16)11-9-7-6-8-10-13(2)3/h8,10,13-14H,5-7,9,11-12H2,1-4H3/b10-8+
InChIKey PLTRJLWIJLCEOL-CSKARUKUSA-N
Molecular Weight 240.387 g/mol
SMILES C(CCCC\C=C\C(C)C)(=O)OCC(CC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988043