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N,N''-Dipropyl-N,N''-bis-(4-phenylbutyl)-benzol-1,3-dimethanamin-dihydrogenoxalate
SpectraBase Compound ID 2A0On58mZfr
InChI InChI=1S/C34H48N2.2C2H2O4/c1-3-24-35(26-13-11-20-31-16-7-5-8-17-31)29-33-22-15-23-34(28-33)30-36(25-4-2)27-14-12-21-32-18-9-6-10-19-32;2*3-1(4)2(5)6/h5-10,15-19,22-23,28H,3-4,11-14,20-21,24-27,29-30H2,1-2H3;2*(H,3,4)(H,5,6)
InChIKey NGAWTZDLEFMMNR-UHFFFAOYSA-N
Mol Weight 664.84 g/mol
Molecular Formula C38H52N2O8
Exact Mass 664.372367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lgy0pDTYcMV
Name N,N''-Dipropyl-N,N''-bis-(4-phenylbutyl)-benzol-1,3-dimethanamin-dihydrogenoxalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H52N2O8
InChI InChI=1S/C34H48N2.2C2H2O4/c1-3-24-35(26-13-11-20-31-16-7-5-8-17-31)29-33-22-15-23-34(28-33)30-36(25-4-2)27-14-12-21-32-18-9-6-10-19-32;2*3-1(4)2(5)6/h5-10,15-19,22-23,28H,3-4,11-14,20-21,24-27,29-30H2,1-2H3;2*(H,3,4)(H,5,6)
InChIKey NGAWTZDLEFMMNR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19893221107
Molecular Weight 664.840 g/mol
SMILES OC(C(=O)O)=O.c1cc(cc(c1)CN(CCCCc1ccccc1)CCC)CN(CCCCc1ccccc1)CCC.OC(C(=O)O)=O
SPLASH splash10-0aor-5809400000-cd85858e9e43213c9475
Source of Spectrum APC-322-813-4
Synonyms N,N'-(1,3-phenylenebis(methylene))bis(4-phenyl-N-propylbutan-1-amine) dioxalate
Wiley ID 1788558