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Tristearin
SpectraBase Compound ID 428anokWXIG
InChI InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
InChIKey DCXXMTOCNZCJGO-UHFFFAOYSA-N
Mol Weight 891.5 g/mol
Molecular Formula C57H110O6
Exact Mass 890.830241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OVcaNOJZA
Name Tristearin
Alternate Name(s) Glyceryl tristealate
Comments MONAID: JP005846
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H110O6
InChI InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
InChIKey DCXXMTOCNZCJGO-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 891.501 g/mol
SMILES C(CCCCCCCCCCCCCCC)CC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0aor-1268019000-bea2c9645ee3c4900166
Source of Spectrum SRH-2022-5846-0
Wiley ID 1827847