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N,N,N',N'-[Bis(3,6,9,12,15-pentaoxahexaethylene)crowno]-N,N,N',N'-tetramethyl-p-phanediamine

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N,N,N',N'-[Bis(3,6,9,12,15-pentaoxahexaethylene)crowno]-N,N,N',N'-tetramethyl-p-phanediamine
SpectraBase Compound ID 7rIgIDiGGqA
InChI InChI=1S/C40H68N4O10/c1-41-13-17-45-21-25-49-29-33-53-34-30-51-27-23-47-19-15-43(3)39-9-11-40(12-10-39)44(4)16-20-48-24-28-52-32-36-54-35-31-50-26-22-46-18-14-42(2)38-7-5-37(41)6-8-38/h5-12H,13-36H2,1-4H3
InChIKey YTSGNLZVOVAFHV-UHFFFAOYSA-N
Mol Weight 765.0 g/mol
Molecular Formula C40H68N4O10
Exact Mass 764.493544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VYAM1Bpgz5
Name N,N,N',N'-[bis(3,6,9,12,15-Pentaoxahexaethylene)crowno]-N,N,N',N'-tetramethyl-p-phanediamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 764.493544396 u
Formula C40H68N4O10
InChI InChI=1S/C40H68N4O10/c1-41-13-17-45-21-25-49-29-33-53-34-30-51-27-23-47-19-15-43(3)39-9-11-40(12-10-39)44(4)16-20-48-24-28-52-32-36-54-35-31-50-26-22-46-18-14-42(2)38-7-5-37(41)6-8-38/h5-12H,13-36H2,1-4H3
InChIKey YTSGNLZVOVAFHV-UHFFFAOYSA-N
Molecular Weight 765.002 g/mol
SMILES C=12N(CCOCCOCCOCCOCCOCCN(C=3C=CC(N(CCOCCOCCOCCOCCOCCN(C(C=C2)=CC1)C)C)=CC3)C)C