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Hexadecanoic acid, 1,4-butanediyl ester
SpectraBase Compound ID BtZ7MXLvcdl
InChI InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(37)39-33-29-30-34-40-36(38)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey UXPYIAWFQKSHNV-UHFFFAOYSA-N
Mol Weight 567.0 g/mol
Molecular Formula C36H70O4
Exact Mass 566.527411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQR6GJimfsn
Name Hexadecanoic acid, 1,4-butanediyl ester
Alternate Name(s) 4-(Palmitoyloxy)butyl palmitate 1,4-Butanediol dipalmitate 4-Hexadecanoyloxybutyl hexadecanoate Di-O-palmitoylbutane-1,4-diol Hexadecanoic acid 4-(1-oxohexadecoxy)butyl ester palmitic acid 4-hexadecanoyloxybutyl ester Palmitic acid, tetramethylene ester AI3-31698 BRN 1809598
CAS Registry Number 26719-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H70O4
InChI InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35(37)39-33-29-30-34-40-36(38)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3
InChIKey UXPYIAWFQKSHNV-UHFFFAOYSA-N
Molecular Weight 566.952 g/mol
SMILES C(OCCCCOC(CCCCCCCCCCCCCCC)=O)(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0abc-9211000000-37bd581d3aa3bb765fb7
Source of Spectrum EP-5240-0-0
Wiley ID 1407383