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Succinic acid, 1-cyclopentylethyl heptadecyl ester

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

Succinic acid, 1-cyclopentylethyl heptadecyl ester
SpectraBase Compound ID 72URAYT0h2d
InChI InChI=1S/C28H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27(29)22-23-28(30)32-25(2)26-20-17-18-21-26/h25-26H,3-24H2,1-2H3
InChIKey XATXFALSXZWNHD-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 51CVf5TdxJZ
Name Succinic acid, 1-cyclopentylethyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27(29)22-23-28(30)32-25(2)26-20-17-18-21-26/h25-26H,3-24H2,1-2H3
InChIKey XATXFALSXZWNHD-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES C(CCC(OC(C)C1CCCC1)=O)(OCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845774