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Diethylmalonic acid, pentyl tetrahydrofurfuryl ester

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Diethylmalonic acid, pentyl tetrahydrofurfuryl ester
SpectraBase Compound ID 64eWMP8esTb
InChI InChI=1S/C17H30O5/c1-4-7-8-11-21-15(18)17(5-2,6-3)16(19)22-13-14-10-9-12-20-14/h14H,4-13H2,1-3H3
InChIKey IMLKFDBVHWPKQR-UHFFFAOYSA-N
Mol Weight 314.42 g/mol
Molecular Formula C17H30O5
Exact Mass 314.209324 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JmEcBCkwrwa
Name Diethylmalonic acid, pentyl tetrahydrofurfuryl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.209324061 u
Formula C17H30O5
InChI InChI=1S/C17H30O5/c1-4-7-8-11-21-15(18)17(5-2,6-3)16(19)22-13-14-10-9-12-20-14/h14H,4-13H2,1-3H3
InChIKey IMLKFDBVHWPKQR-UHFFFAOYSA-N
SMILES C(C(C(OCCCCC)=O)(CC)CC)(OCC1OCCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83872