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Methyl 12-oxoeicosan-1,20-dioate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 12-oxoeicosan-1,20-dioate
SpectraBase Compound ID 9b41YC5Ga2Q
InChI InChI=1S/C22H40O5/c1-26-21(24)18-14-10-6-4-3-5-8-12-16-20(23)17-13-9-7-11-15-19-22(25)27-2/h3-19H2,1-2H3
InChIKey UHHZRFGNSXGPPO-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C22H40O5
Exact Mass 384.287574 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FccgKrliH4x
Name Methyl 12-oxoeicosan-1,20-dioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.287574383 u
Formula C22H40O5
InChI InChI=1S/C22H40O5/c1-26-21(24)18-14-10-6-4-3-5-8-12-16-20(23)17-13-9-7-11-15-19-22(25)27-2/h3-19H2,1-2H3
InChIKey UHHZRFGNSXGPPO-UHFFFAOYSA-N
Molecular Weight 384.557 g/mol
SMILES C(=O)(OC)CCCCCCCC(=O)CCCCCCCCCCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968334