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Sebacic acid, neopentyl pentyl ester
SpectraBase Compound ID IpVp1rSmcec
InChI InChI=1S/C20H38O4/c1-5-6-13-16-23-18(21)14-11-9-7-8-10-12-15-19(22)24-17-20(2,3)4/h5-17H2,1-4H3
InChIKey CWCGPXFFLDDLNM-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hbr1UVj48DY
Name Sebacic acid, neopentyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.277009700 u
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-5-6-13-16-23-18(21)14-11-9-7-8-10-12-15-19(22)24-17-20(2,3)4/h5-17H2,1-4H3
InChIKey CWCGPXFFLDDLNM-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954605