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Trihexanoin
SpectraBase Compound ID FpiZIiHKv5L
InChI InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
InChIKey MAYCICSNZYXLHB-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C21H38O6
Exact Mass 386.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F98Dzj4R7U5
Name Glycerol trihexanoate
Comments MONAID: JP005666
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O6
InChI InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3
InChIKey MAYCICSNZYXLHB-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 386.529 g/mol
SMILES CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
SPLASH splash10-0002-9210000000-974543f717466e773376
Source of Spectrum SRH-2022-5666-0
Synonyms tri-n-Caproin
Wiley ID 1827693