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Methyl 4-hexyl-4-formyl-6-carboxyhexanoate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Methyl 4-hexyl-4-formyl-6-carboxyhexanoate
SpectraBase Compound ID JZSTKrpPS6w
InChI InChI=1S/C11H18O5/c1-3-11(8-12,6-4-9(13)14)7-5-10(15)16-2/h8H,3-7H2,1-2H3,(H,13,14)
InChIKey GVHJVAXIECWGPP-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dl8EUqxwPIr
Name Methyl 4-hexyl-4-formyl-6-carboxyhexanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.115423675 u
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-3-11(8-12,6-4-9(13)14)7-5-10(15)16-2/h8H,3-7H2,1-2H3,(H,13,14)
InChIKey GVHJVAXIECWGPP-UHFFFAOYSA-N
Molecular Weight 230.260 g/mol
SMILES C(=O)(CCC(C=O)(CCC(=O)OC)CC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968502