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1-(N-Methylamino)-2-(15'-hydroxy-1',4',7',10',13'-pentaoxapentadecyl)-4-nitrobenzene

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1-(N-Methylamino)-2-(15'-hydroxy-1',4',7',10',13'-pentaoxapentadecyl)-4-nitrobenzene
SpectraBase Compound ID CITIeQbdUUS
InChI InChI=1S/C17H28N2O8/c1-18-16-3-2-15(19(21)22)14-17(16)27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20/h2-3,14,18,20H,4-13H2,1H3
InChIKey RMHMCHPQMDAJKZ-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C17H28N2O8
Exact Mass 388.184566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C56zNpMaxMj
Name 1-(N-Methylamino)-2-(15'-hydroxy-1',4',7',10',13'-pentaoxapentadecyl)-4-nitrobenzene
Comments Computed using HOSE algorithm
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Exact Mass 388.184565862 u
Formula C17H28N2O8
InChI InChI=1S/C17H28N2O8/c1-18-16-3-2-15(19(21)22)14-17(16)27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-20/h2-3,14,18,20H,4-13H2,1H3
InChIKey RMHMCHPQMDAJKZ-UHFFFAOYSA-N
Molecular Weight 388.417 g/mol
SMILES C=1(N(=O)=O)C=C(OCCOCCOCCOCCOCCO)C(=CC1)NC