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N-Dimethylaminomethylidene-4-sphingenine butaneboronate

View entire compound with spectra: 1 NMR

N-Dimethylaminomethylidene-4-sphingenine butaneboronate
SpectraBase Compound ID LpmuirLANnK
InChI InChI=1S/C25H49BN2O2/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-24(27-23-28(3)4)22-29-26(30-25)21-8-6-2/h19-20,23-25H,5-18,21-22H2,1-4H3/b20-19+,27-23+
InChIKey XFARKBHGGUMTLS-NCQXFQPCSA-N
Mol Weight 420.5 g/mol
Molecular Formula C25H49BN2O2
Exact Mass 420.388709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gFEp9Mw6mn
Name N-Dimethylaminomethylidene-4-sphingenine butaneboronate
Comments Computed using HOSE algorithm
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Exact Mass 420.388708994 u
Formula C25H49BN2O2
InChI InChI=1S/C25H49BN2O2/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-24(27-23-28(3)4)22-29-26(30-25)21-8-6-2/h19-20,23-25H,5-18,21-22H2,1-4H3/b20-19+,27-23+
InChIKey XFARKBHGGUMTLS-NCQXFQPCSA-N
Molecular Weight 420.489 g/mol
SMILES C1(OB(OCC1\N=C\N(C)C)CCCC)\C=C\CCCCCCCCCCCCC