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N,N-Dibenzyl-1,1-diethoxy-2-octyn-4-amine

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

N,N-Dibenzyl-1,1-diethoxy-2-octyn-4-amine
SpectraBase Compound ID ZXycABdUHa
InChI InChI=1S/C26H35NO2/c1-4-7-18-25(19-20-26(28-5-2)29-6-3)27(21-23-14-10-8-11-15-23)22-24-16-12-9-13-17-24/h8-17,25-26H,4-7,18,21-22H2,1-3H3
InChIKey KGORRVFGKRMMKE-UHFFFAOYSA-N
Mol Weight 393.6 g/mol
Molecular Formula C26H35NO2
Exact Mass 393.266779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8nnsadCLEU
Name N,N-Dibenzyl-1,1-diethoxy-2-octyn-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 393.266779369 u
Formula C26H35NO2
InChI InChI=1S/C26H35NO2/c1-4-7-18-25(19-20-26(28-5-2)29-6-3)27(21-23-14-10-8-11-15-23)22-24-16-12-9-13-17-24/h8-17,25-26H,4-7,18,21-22H2,1-3H3
InChIKey KGORRVFGKRMMKE-UHFFFAOYSA-N
Molecular Weight 393.571 g/mol
SMILES C(C#CC(CCCC)N(CC=1C=CC=CC1)CC=1C=CC=CC1)(OCC)OCC