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4-Pentenoic acid, 2-methyl-, nonyl ester

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

4-Pentenoic acid, 2-methyl-, nonyl ester
SpectraBase Compound ID FnKCD2yhnsT
InChI InChI=1S/C15H28O2/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h5,14H,2,4,6-13H2,1,3H3
InChIKey SUIJFENYPSLILQ-UHFFFAOYSA-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 CQzV25b4V6E
Name 4-Pentenoic acid, 2-methyl-, nonyl ester
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/c1-4-6-7-8-9-10-11-13-17-15(16)14(3)12-5-2/h5,14H,2,4,6-13H2,1,3H3
InChIKey SUIJFENYPSLILQ-UHFFFAOYSA-N
Molecular Weight 240.387 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)C)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959661