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N-Ethyl-2-amino-octade-4-en-1,3-diol benzeneboronate

View entire compound with spectra: 1 NMR

N-Ethyl-2-amino-octade-4-en-1,3-diol benzeneboronate
SpectraBase Compound ID LgtayLsRRv2
InChI InChI=1S/C26H44BNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-26-25(28-4-2)23-29-27(30-26)24-20-17-16-18-21-24/h16-22,25-26,28H,3-15,23H2,1-2H3/b22-19+
InChIKey KCVINZOOHOPLFH-ZBJSNUHESA-N
Mol Weight 413.5 g/mol
Molecular Formula C26H44BNO2
Exact Mass 413.34651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QwCj9mSd57
Name N-Ethyl-2-amino-octade-4-en-1,3-diol benzeneboronate
Comments Computed using HOSE algorithm
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Exact Mass 413.346509829 u
Formula C26H44BNO2
InChI InChI=1S/C26H44BNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-26-25(28-4-2)23-29-27(30-26)24-20-17-16-18-21-24/h16-22,25-26,28H,3-15,23H2,1-2H3/b22-19+
InChIKey KCVINZOOHOPLFH-ZBJSNUHESA-N
Molecular Weight 413.453 g/mol
SMILES C1(OB(OCC1NCC)C1=CC=CC=C1)\C=C\CCCCCCCCCCCCC