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Hexanoic acid, 2-ethoxycarbonyl-3-hexanoyloxypropyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Hexanoic acid, 2-ethoxycarbonyl-3-hexanoyloxypropyl ester
SpectraBase Compound ID 5uo2vwLoSfJ
InChI InChI=1S/C18H32O6/c1-4-7-9-11-16(19)23-13-15(18(21)22-6-3)14-24-17(20)12-10-8-5-2/h15H,4-14H2,1-3H3
InChIKey OXJXHUOAUVPCKS-UHFFFAOYSA-N
Mol Weight 344.4 g/mol
Molecular Formula C18H32O6
Exact Mass 344.219889 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3jooDEsqhwf
Name Hexanoic acid, 2-ethoxycarbonyl-3-hexanoyloxypropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.219888744 u
Formula C18H32O6
InChI InChI=1S/C18H32O6/c1-4-7-9-11-16(19)23-13-15(18(21)22-6-3)14-24-17(20)12-10-8-5-2/h15H,4-14H2,1-3H3
InChIKey OXJXHUOAUVPCKS-UHFFFAOYSA-N
Molecular Weight 344.448 g/mol
SMILES C(=O)(OCC)C(COC(CCCCC)=O)COC(CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90799