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2-Amino-octadec-7-ene-1,3-diol butaneboronate

View entire compound with spectra: 1 NMR

2-Amino-octadec-7-ene-1,3-diol butaneboronate
SpectraBase Compound ID 9HW0qrLwDu4
InChI InChI=1S/C22H44BNO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-21(24)20-25-23(26-22)19-6-4-2/h14-15,21-22H,3-13,16-20,24H2,1-2H3/b15-14+
InChIKey QAKSXOJDBXAXII-CCEZHUSRSA-N
Mol Weight 365.4 g/mol
Molecular Formula C22H44BNO2
Exact Mass 365.34651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9KoD4xgtTXJ
Name 2-Amino-octadec-7-ene-1,3-diol butaneboronate
Comments Computed using HOSE algorithm
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Exact Mass 365.346509829 u
Formula C22H44BNO2
InChI InChI=1S/C22H44BNO2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-21(24)20-25-23(26-22)19-6-4-2/h14-15,21-22H,3-13,16-20,24H2,1-2H3/b15-14+
InChIKey QAKSXOJDBXAXII-CCEZHUSRSA-N
Molecular Weight 365.409 g/mol
SMILES C1OB(OC(C1N)CCC\C=C\CCCCCCCCCC)CCCC