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1,3,5-Tris(isocyanatohexamethylene)isocyanurate

View entire compound with spectra: 1 NMR, and 2 FTIR

1,3,5-Tris(isocyanatohexamethylene)isocyanurate
SpectraBase Compound ID KDJPDdR0H67
InChI InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2
InChIKey KCZQSKKNAGZQSZ-UHFFFAOYSA-N
Mol Weight 504.6 g/mol
Molecular Formula C24H36N6O6
Exact Mass 504.269633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsYuze2qD2N
Name 1,3,5-Tris-isocyanatohexamethylene isocyanurate
Comments Computed using HOSE algorithm
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Exact Mass 504.269632897 u
Formula C24H36N6O6
InChI InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2
InChIKey KCZQSKKNAGZQSZ-UHFFFAOYSA-N
Molecular Weight 504.588 g/mol
SMILES C1(N(C(N(C(=O)N1CCCCCCN=C=O)CCCCCCN=C=O)=O)CCCCCCN=C=O)=O