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11-Phenyl-N,1-di-4-tolyl-2,3,5,6,8,9-hexahydro-1H-imidazo[1,5-d][1,9,4,6]dioxadiazacycloundecene-13-amine
SpectraBase Compound ID IqK0oM31feS
InChI InChI=1S/C29H32N4O2/c1-22-8-12-25(13-9-22)30-27-29-32(26-14-10-23(2)11-15-26)16-18-34-20-21-35-19-17-33(29)28(31-27)24-6-4-3-5-7-24/h3-15,30H,16-21H2,1-2H3
InChIKey OBFPUPPTRKZCCI-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H32N4O2
Exact Mass 468.252526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AryjWD2aD8I
Name 11-Phenyl-N,1-di-4-tolyl-2,3,5,6,8,9-hexahydro-1H-imidazo[1,5-D][1,9,4,6]dioxadiazacycloundecene-13-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.252526284 u
Formula C29H32N4O2
InChI InChI=1S/C29H32N4O2/c1-22-8-12-25(13-9-22)30-27-29-32(26-14-10-23(2)11-15-26)16-18-34-20-21-35-19-17-33(29)28(31-27)24-6-4-3-5-7-24/h3-15,30H,16-21H2,1-2H3
InChIKey OBFPUPPTRKZCCI-UHFFFAOYSA-N
Molecular Weight 468.601 g/mol
SMILES C=12N(C(C=3C=CC=CC3)=NC1NC1=CC=C(C=C1)C)CCOCCOCCN2C1=CC=C(C=C1)C