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Succinic acid, cyclohexylmethyl heptadecyl ester

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

Succinic acid, cyclohexylmethyl heptadecyl ester
SpectraBase Compound ID HpOZuuKajiw
InChI InChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-31-27(29)22-23-28(30)32-25-26-20-17-16-18-21-26/h26H,2-25H2,1H3
InChIKey QXJLMWFKHXYQDA-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8GIPIa6cPTI
Name Succinic acid, cyclohexylmethyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-31-27(29)22-23-28(30)32-25-26-20-17-16-18-21-26/h26H,2-25H2,1H3
InChIKey QXJLMWFKHXYQDA-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCOC(CCC(OCC1CCCCC1)=O)=O)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830408