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Glycerol 2-acetate 1,3-dipalmitate

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

Glycerol 2-acetate 1,3-dipalmitate
SpectraBase Compound ID 4fQCFgFOeK
InChI InChI=1S/C37H70O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(39)41-32-35(43-34(3)38)33-42-37(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-33H2,1-3H3
InChIKey VACJANAWFRPJJI-UHFFFAOYSA-N
Mol Weight 611.0 g/mol
Molecular Formula C37H70O6
Exact Mass 610.51724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BaQ2fj0EErx
Name Glycerol 2-acetate 1,3-dipalmitate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 610.517239968 u
Formula C37H70O6
InChI InChI=1S/C37H70O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(39)41-32-35(43-34(3)38)33-42-37(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35H,4-33H2,1-3H3
InChIKey VACJANAWFRPJJI-UHFFFAOYSA-N
Molecular Weight 610.961 g/mol
SMILES C(CCCCCCCCCCCCC(=O)OCC(COC(CCCCCCCCCCCCCCC)=O)OC(C)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908731