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Adipic acid, 2-decyl undecyl ester

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

Adipic acid, 2-decyl undecyl ester
SpectraBase Compound ID H9dgTRPBCc1
InChI InChI=1S/C27H52O4/c1-4-6-8-10-12-13-14-16-20-24-30-26(28)22-18-19-23-27(29)31-25(3)21-17-15-11-9-7-5-2/h25H,4-24H2,1-3H3
InChIKey WQUZNDZLLKYFHR-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2g0tkINPhg1
Name Adipic acid, 2-decyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-4-6-8-10-12-13-14-16-20-24-30-26(28)22-18-19-23-27(29)31-25(3)21-17-15-11-9-7-5-2/h25H,4-24H2,1-3H3
InChIKey WQUZNDZLLKYFHR-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(C(OC(CCCCCCCC)C)=O)CCCC(OCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844837