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1,3,5-Tris(5-dimethylaminonaphthalene-1-sulfonic acid propylamide)benzene

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

1,3,5-Tris(5-dimethylaminonaphthalene-1-sulfonic acid propylamide)benzene
SpectraBase Compound ID 2haLLfnQKnL
InChI InChI=1S/C51H60N6O6S3/c1-55(2)46-25-7-22-43-40(46)19-10-28-49(43)64(58,59)52-31-13-16-37-34-38(17-14-32-53-65(60,61)50-29-11-20-41-44(50)23-8-26-47(41)56(3)4)36-39(35-37)18-15-33-54-66(62,63)51-30-12-21-42-45(51)24-9-27-48(42)57(5)6/h7-12,19-30,34-36,52-54H,13-18,31-33H2,1-6H3
InChIKey LLLRTCBKKUICQG-UHFFFAOYSA-N
Mol Weight 949.3 g/mol
Molecular Formula C51H60N6O6S3
Exact Mass 948.373647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvuTg6wirSS
Name 1,3,5-Tris(5-dimethylaminonaphthalene-1-sulfonic acid propylamide)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 948.373647192 u
Formula C51H60N6O6S3
InChI InChI=1S/C51H60N6O6S3/c1-55(2)46-25-7-22-43-40(46)19-10-28-49(43)64(58,59)52-31-13-16-37-34-38(17-14-32-53-65(60,61)50-29-11-20-41-44(50)23-8-26-47(41)56(3)4)36-39(35-37)18-15-33-54-66(62,63)51-30-12-21-42-45(51)24-9-27-48(42)57(5)6/h7-12,19-30,34-36,52-54H,13-18,31-33H2,1-6H3
InChIKey LLLRTCBKKUICQG-UHFFFAOYSA-N
Molecular Weight 949.257 g/mol
SMILES C1(S(=O)(=O)NCCCC=2C=C(CCCNS(C3=C4C(C(N(C)C)=CC=C4)=CC=C3)(=O)=O)C=C(C2)CCCNS(C2=C3C(C(N(C)C)=CC=C3)=CC=C2)(=O)=O)=C2C(C(N(C)C)=CC=C2)=CC=C1