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Decanoic acid, decyl ester

View entire compound with spectra: 2 NMR, 2 FTIR, and 4 MS (GC)

Decanoic acid, decyl ester
SpectraBase Compound ID 7r3jtgFhBxU
InChI InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKey XAKXZZPEUKNHMA-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5f8DMVkvtUZ
Name Decanoic acid, decyl ester
Alternate Name(s) Decyl decanoate capric acid decyl ester EINECS 216-729-4
CAS Registry Number 1654-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-19-22-20(21)18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3
InChIKey XAKXZZPEUKNHMA-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES CCCCCCCCCC(=O)OCCCCCCCCCC
SPLASH splash10-052f-9100000000-044ff7e349f81104c23d
Wiley ID 1492681