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2-Heptenoic acid, octyl ester

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2-Heptenoic acid, octyl ester
SpectraBase Compound ID 25mzjlXVP9s
InChI InChI=1S/C15H28O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h11,13H,3-10,12,14H2,1-2H3/b13-11+
InChIKey GGGUDHOEWILFKY-ACCUITESSA-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 GHeT82n1cir
Name 2-Heptenoic acid, octyl 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/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h11,13H,3-10,12,14H2,1-2H3/b13-11+
InChIKey GGGUDHOEWILFKY-ACCUITESSA-N
Molecular Weight 240.387 g/mol
SMILES C(\C=C\C(OCCCCCCCC)=O)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838041