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Hexadecyl 3-[(capryloyloyl)oxy]-tetradecanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Hexadecyl 3-[(capryloyloyl)oxy]-tetradecanoate
SpectraBase Compound ID LkvK20srnBH
InChI InChI=1S/C38H74O4/c1-4-7-10-13-15-17-18-19-20-21-23-25-28-31-34-41-38(40)35-36(42-37(39)33-30-26-12-9-6-3)32-29-27-24-22-16-14-11-8-5-2/h36H,4-35H2,1-3H3
InChIKey ZQSHEPNADDNGGV-UHFFFAOYSA-N
Mol Weight 595.0 g/mol
Molecular Formula C38H74O4
Exact Mass 594.558711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ov7DwtwPCK
Name Hexadecyl 3-[(capryloyloyl)oxy]-tetradecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.558710859 u
Formula C38H74O4
InChI InChI=1S/C38H74O4/c1-4-7-10-13-15-17-18-19-20-21-23-25-28-31-34-41-38(40)35-36(42-37(39)33-30-26-12-9-6-3)32-29-27-24-22-16-14-11-8-5-2/h36H,4-35H2,1-3H3
InChIKey ZQSHEPNADDNGGV-UHFFFAOYSA-N
Molecular Weight 595.006 g/mol
SMILES C(C(=O)OCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCC)CCCCCCCCCCC