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Succinic acid, cycloheptyl heptadecyl ester

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

Succinic acid, cycloheptyl heptadecyl ester
SpectraBase Compound ID 25g4tTF0hxX
InChI InChI=1S/C28H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-31-27(29)23-24-28(30)32-26-21-18-15-16-19-22-26/h26H,2-25H2,1H3
InChIKey CVIPCIMMTQDRHC-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 IcRkoOpC6SF
Name Succinic acid, cycloheptyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-31-27(29)23-24-28(30)32-26-21-18-15-16-19-22-26/h26H,2-25H2,1H3
InChIKey CVIPCIMMTQDRHC-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCCCCOC(CCC(OC1CCCCCC1)=O)=O)CCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897693