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 Google Search
Mol Weight	595.0 g/mol
Molecular Formula	C38H74O4
Exact Mass	594.558711 g/mol

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SpectraBase Spectrum ID	J8EPnbBPQYt
Name	Hexadecyl 3-[(capryloyloyl)oxy]-tetradecanoate
Comments	Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR)	0.838551