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1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[2-[2-(methoxycarbonyl)phenylmethoxy]ethyl]-
SpectraBase Compound ID 2FdvSeYzG1j
InChI InChI=1S/C36H39N3O12/c1-46-31(40)28-13-7-4-10-25(28)22-49-19-16-37-34(43)38(17-20-50-23-26-11-5-8-14-29(26)32(41)47-2)36(45)39(35(37)44)18-21-51-24-27-12-6-9-15-30(27)33(42)48-3/h4-15H,16-24H2,1-3H3
InChIKey IFEMCYNFLHKSAL-UHFFFAOYSA-N
Mol Weight 705.7 g/mol
Molecular Formula C36H39N3O12
Exact Mass 705.253374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbzaJsVEsb3
Name 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[2-[2-(methoxycarbonyl)phenylmethoxy]ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 705.253373696 u
Formula C36H39N3O12
InChI InChI=1S/C36H39N3O12/c1-46-31(40)28-13-7-4-10-25(28)22-49-19-16-37-34(43)38(17-20-50-23-26-11-5-8-14-29(26)32(41)47-2)36(45)39(35(37)44)18-21-51-24-27-12-6-9-15-30(27)33(42)48-3/h4-15H,16-24H2,1-3H3
InChIKey IFEMCYNFLHKSAL-UHFFFAOYSA-N
Molecular Weight 705.717 g/mol
SMILES C1(N(C(N(C(N1CCOCC1=CC=CC=C1C(OC)=O)=O)CCOCC1=CC=CC=C1C(OC)=O)=O)CCOCC1=CC=CC=C1C(OC)=O)=O