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N,N'-Dimethyl-N,N'-bis-(4-phenylbutyl)-benzo-1,3-dimethanamin-di-hydrogenoxalate

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

N,N'-Dimethyl-N,N'-bis-(4-phenylbutyl)-benzo-1,3-dimethanamin-di-hydrogenoxalate
SpectraBase Compound ID KfTeGi7Gqv7
InChI InChI=1S/C30H40N2.2C2H2O4/c1-31(22-11-9-18-27-14-5-3-6-15-27)25-29-20-13-21-30(24-29)26-32(2)23-12-10-19-28-16-7-4-8-17-28;2*3-1(4)2(5)6/h3-8,13-17,20-21,24H,9-12,18-19,22-23,25-26H2,1-2H3;2*(H,3,4)(H,5,6)
InChIKey GKNYVWOMRHQYPA-UHFFFAOYSA-N
Mol Weight 608.73 g/mol
Molecular Formula C34H44N2O8
Exact Mass 608.309766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ko6wIF65Oj
Name N,N'-Dimethyl-N,N'-bis-(4-phenylbutyl)-benzo-1,3-dimethanamin-di-hydrogenoxalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.309766377 u
Formula C34H44N2O8
InChI InChI=1S/C30H40N2.2C2H2O4/c1-31(22-11-9-18-27-14-5-3-6-15-27)25-29-20-13-21-30(24-29)26-32(2)23-12-10-19-28-16-7-4-8-17-28;2*3-1(4)2(5)6/h3-8,13-17,20-21,24H,9-12,18-19,22-23,25-26H2,1-2H3;2*(H,3,4)(H,5,6)
InChIKey GKNYVWOMRHQYPA-UHFFFAOYSA-N
Molecular Weight 608.732 g/mol
SMILES C(C(O)=O)(O)=O.C1=CC(=CC(=C1)CN(CCCCC1=CC=CC=C1)C)CN(CCCCC1=CC=CC=C1)C.C(C(O)=O)(O)=O