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Lauric acid, 2-(hexadecyloxy)-3-(octadecyloxy)propyl ester

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

Lauric acid, 2-(hexadecyloxy)-3-(octadecyloxy)propyl ester
SpectraBase Compound ID CFnKdBbo74F
InChI InChI=1S/C49H98O4/c1-4-7-10-13-16-19-21-23-25-26-27-29-32-35-38-41-44-51-46-48(47-53-49(50)43-40-37-34-31-18-15-12-9-6-3)52-45-42-39-36-33-30-28-24-22-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey DITSJCRPKKTEMA-UHFFFAOYSA-N
Mol Weight 751.3 g/mol
Molecular Formula C49H98O4
Exact Mass 750.746512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTDCoCq3MJ
Name Lauric acid, 2-(hexadecyloxy)-3-(octadecyloxy)propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 750.746511632 u
Formula C49H98O4
InChI InChI=1S/C49H98O4/c1-4-7-10-13-16-19-21-23-25-26-27-29-32-35-38-41-44-51-46-48(47-53-49(50)43-40-37-34-31-18-15-12-9-6-3)52-45-42-39-36-33-30-28-24-22-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
InChIKey DITSJCRPKKTEMA-UHFFFAOYSA-N
Molecular Weight 751.319 g/mol
SMILES C(C(COCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OC(CCCCCCCCCCC)=O