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N,N',N''-Triethyl-N,N',N''-tris-(4-phenylbutyl)-benzol-1,3,5-trimethanamintrihydrogenoxalate
SpectraBase Compound ID 1Wi9gRY3HbD
InChI InChI=1S/C45H63N3.3C2H2O4/c1-4-46(31-19-16-28-40-22-10-7-11-23-40)37-43-34-44(38-47(5-2)32-20-17-29-41-24-12-8-13-25-41)36-45(35-43)39-48(6-3)33-21-18-30-42-26-14-9-15-27-42;3*3-1(4)2(5)6/h7-15,22-27,34-36H,4-6,16-21,28-33,37-39H2,1-3H3;3*(H,3,4)(H,5,6)
InChIKey HDPUJTBUHTVBJT-UHFFFAOYSA-N
Mol Weight 916.12 g/mol
Molecular Formula C51H69N3O12
Exact Mass 915.488125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHJnuJzEIHj
Name N,N',N''-Triethyl-N,N',N''-tris-(4-phenylbutyl)-benzol-1,3,5-trimethanamintrihydrogenoxalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H69N3O12
InChI InChI=1S/C45H63N3.3C2H2O4/c1-4-46(31-19-16-28-40-22-10-7-11-23-40)37-43-34-44(38-47(5-2)32-20-17-29-41-24-12-8-13-25-41)36-45(35-43)39-48(6-3)33-21-18-30-42-26-14-9-15-27-42;3*3-1(4)2(5)6/h7-15,22-27,34-36H,4-6,16-21,28-33,37-39H2,1-3H3;3*(H,3,4)(H,5,6)
InChIKey HDPUJTBUHTVBJT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19893221107
Molecular Weight 916.122 g/mol
SMILES OC(C(=O)O)=O.c1(CN(CCCCc2ccccc2)CC)cc(cc(c1)CN(CCCCc1ccccc1)CC)CN(CC)CCCCc1ccccc1.OC(C(=O)O)=O.OC(C(=O)O)=O
SPLASH splash10-05mo-9502010000-b70254c584b6c1517a93
Source of Spectrum APC-322-813-3a
Synonyms N,N',N''-(benzene-1,3,5-triyltris(methylene))tris(N-ethyl-4-phenylbutan-1-amine) trioxalate
Wiley ID 1788556