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2-(3,4-Didecyloxybenzoylaminomethyl)-2-(3,4-didecyloxybenzoyloxymethyl)-1,3-propanediol

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

2-(3,4-Didecyloxybenzoylaminomethyl)-2-(3,4-didecyloxybenzoyloxymethyl)-1,3-propanediol
SpectraBase Compound ID 3CAveYoFeeN
InChI InChI=1S/C59H101NO9/c1-5-9-13-17-21-25-29-33-41-65-53-39-37-51(45-55(53)67-43-35-31-27-23-19-15-11-7-3)58(64)69-50-59(48-61,49-62)47-57(63)60-52-38-40-54(66-42-34-30-26-22-18-14-10-6-2)56(46-52)68-44-36-32-28-24-20-16-12-8-4/h37-40,45-46,61-62H,5-36,41-44,47-50H2,1-4H3,(H,60,63)
InChIKey JJGXOGQKVUHHHA-UHFFFAOYSA-N
Mol Weight 968.5 g/mol
Molecular Formula C59H101NO9
Exact Mass 967.747634 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rlrzaFU7wF
Name 2-(3,4-Didecyloxybenzoylaminomethyl)-2-(3,4-didecyloxybenzoyloxymethyl)-1,3-propanediol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 967.747633827 u
Formula C59H101NO9
InChI InChI=1S/C59H101NO9/c1-5-9-13-17-21-25-29-33-41-65-53-39-37-51(45-55(53)67-43-35-31-27-23-19-15-11-7-3)58(64)69-50-59(48-61,49-62)47-57(63)60-52-38-40-54(66-42-34-30-26-22-18-14-10-6-2)56(46-52)68-44-36-32-28-24-20-16-12-8-4/h37-40,45-46,61-62H,5-36,41-44,47-50H2,1-4H3,(H,60,63)
InChIKey JJGXOGQKVUHHHA-UHFFFAOYSA-N
Molecular Weight 968.455 g/mol
SMILES C(C1=CC(OCCCCCCCCCC)=C(C=C1)OCCCCCCCCCC)(OCC(CC(NC1=CC(OCCCCCCCCCC)=C(C=C1)OCCCCCCCCCC)=O)(CO)CO)=O