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Diethyl[3-[N-octadecylmercapto]-p-N-butylanilinomethylene]malonate

View entire compound with spectra: 1 NMR

Diethyl[3-[N-octadecylmercapto]-p-N-butylanilinomethylene]malonate
SpectraBase Compound ID 3rvb7lWUDQA
InChI InChI=1S/C36H61NO4S/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-42-34-29-32(27-26-31(34)25-10-6-2)37-30-33(35(38)40-7-3)36(39)41-8-4/h26-27,29-30,37H,5-25,28H2,1-4H3
InChIKey SDLBXVUNCFTWNG-UHFFFAOYSA-N
Mol Weight 603.9 g/mol
Molecular Formula C36H61NO4S
Exact Mass 603.432131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LI0ZVuBwxog
Name Diethyl[3-[N-octadecylmercapto]-p-N-butylanilinomethylene]malonate
Comments Computed using HOSE algorithm
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Exact Mass 603.432130618 u
Formula C36H61NO4S
InChI InChI=1S/C36H61NO4S/c1-5-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-42-34-29-32(27-26-31(34)25-10-6-2)37-30-33(35(38)40-7-3)36(39)41-8-4/h26-27,29-30,37H,5-25,28H2,1-4H3
InChIKey SDLBXVUNCFTWNG-UHFFFAOYSA-N
Molecular Weight 603.947 g/mol
SMILES C1=C(C(=CC=C1NC=C(C(OCC)=O)C(OCC)=O)CCCC)SCCCCCCCCCCCCCCCCCC