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Propanedioic acid, (cyclohexylmethyl)-, diethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

Propanedioic acid, (cyclohexylmethyl)-, diethyl ester
SpectraBase Compound ID 3N8GRh7sBz3
InChI InChI=1S/C14H24O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKey WYEHGLSPWYCMOF-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6v0YgSysM0G
Name Propanedioic acid, (cyclohexylmethyl)-, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKey WYEHGLSPWYCMOF-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES C(C(OCC)=O)(C(OCC)=O)CC1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988128