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Isopentanediol dihexadecanoate

View entire compound with spectra: 1 MS (GC)

Isopentanediol dihexadecanoate
SpectraBase Compound ID 1k6S2jAkM91
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(38)40-37(33-34(3)4)41-36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34,37H,5-33H2,1-4H3
InChIKey JNJKWANTDBAMGI-UHFFFAOYSA-N
Mol Weight 581.0 g/mol
Molecular Formula C37H72O4
Exact Mass 580.543061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYkmTVKGrQ5
Name Isopentanediol dihexadecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H72O4
InChI InChI=1S/C37H72O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(38)40-37(33-34(3)4)41-36(39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34,37H,5-33H2,1-4H3
InChIKey JNJKWANTDBAMGI-UHFFFAOYSA-N
Molecular Weight 580.979 g/mol
SMILES C(OC(=O)CCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCC)CC(C)C
SPLASH splash10-052o-9110000000-bffe9b369010258fe0a0
Source of Spectrum EP-5313-0-0
Synonyms 3-Methyl-1-(palmitoyloxy)butyl palmitate
Wiley ID 1408536