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Adipic acid, 2-decyl heptadecyl ester

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

Adipic acid, 2-decyl heptadecyl ester
SpectraBase Compound ID 8t50yib9Th2
InChI InChI=1S/C33H64O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-30-36-32(34)28-24-25-29-33(35)37-31(3)27-23-21-11-9-7-5-2/h31H,4-30H2,1-3H3
InChIKey WWATZOYHAWQKOW-UHFFFAOYSA-N
Mol Weight 524.9 g/mol
Molecular Formula C33H64O4
Exact Mass 524.480461 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4gN5URMfLxK
Name Adipic acid, 2-decyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.480460537 u
Formula C33H64O4
InChI InChI=1S/C33H64O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-26-30-36-32(34)28-24-25-29-33(35)37-31(3)27-23-21-11-9-7-5-2/h31H,4-30H2,1-3H3
InChIKey WWATZOYHAWQKOW-UHFFFAOYSA-N
Molecular Weight 524.871 g/mol
SMILES C(C(OC(CCCCCCCC)C)=O)CCCC(OCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881374