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2-Hexylpentanedioic acid, 2me derivative

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

2-Hexylpentanedioic acid, 2me derivative
SpectraBase Compound ID B9jljc3mClg
InChI InChI=1S/C13H24O4/c1-4-5-6-7-8-11(13(15)17-3)9-10-12(14)16-2/h11H,4-10H2,1-3H3
InChIKey OJZFPDVDWFPPKN-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C13H24O4
Exact Mass 244.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FDgpSGsKcej
Name 2-Hexylpentanedioic acid, 2me derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.167459249 u
Formula C13H24O4
InChI InChI=1S/C13H24O4/c1-4-5-6-7-8-11(13(15)17-3)9-10-12(14)16-2/h11H,4-10H2,1-3H3
InChIKey OJZFPDVDWFPPKN-UHFFFAOYSA-N
Molecular Weight 244.331 g/mol
SMILES C(C(C(OC)=O)CCCCCC)CC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874308