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1,3-Xylyl-18-crown-5, 2-(benzo-1,3,2-dioxaborol-2-yl)-, methylamine

View entire compound with spectra: 2 MS (GC)

1,3-Xylyl-18-crown-5, 2-(benzo-1,3,2-dioxaborol-2-yl)-, methylamine
SpectraBase Compound ID EEqiFWPzmnR
InChI InChI=1S/C23H32BNO7/c1-25-24(31-21-7-2-3-8-22(21)32-24)23-19-5-4-6-20(23)18-30-16-14-28-12-10-26-9-11-27-13-15-29-17-19/h2-8H,9-18,25H2,1H3
InChIKey JIAYZEGUKKIAQC-UHFFFAOYSA-N
Mol Weight 445.3 g/mol
Molecular Formula C23H32BNO7
Exact Mass 445.227183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHpfbubDzcy
Name 1,3-Xylyl-18-crown-5, 2-(benzo-1,3,2-dioxaborol-2-yl)-, methylamine
Alternate Name(s) 1,3-Xylyl-18-crown-5,2-(benzo-1,3,2-dioxaborol-2-yl)-, methylamine(N-B) 1,3-Xylyl-18-krone-5,2-(benzo-1,3,2-dioxaborol-2-yl)-, *CH3NH2 2-(methylazaniumyl)-2-{3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-trien-21-yl}-2H-1,3,2-benzodioxaborol-2-uide
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Formula C23H32BNO7
InChI InChI=1S/C23H32BNO7/c1-25-24(31-21-7-2-3-8-22(21)32-24)23-19-5-4-6-20(23)18-30-16-14-28-12-10-26-9-11-27-13-15-29-17-19/h2-8H,9-18,25H2,1H3
InChIKey JIAYZEGUKKIAQC-UHFFFAOYSA-N
Molecular Weight 445.319 g/mol
SMILES c1([B-]2([NH2+]C)Oc3c(O2)cccc3)c2cccc1COCCOCCOCCOCCOC2
SPLASH splash10-03ki-7950100000-50dc8b95b4855c5627ec
Wiley ID 1490805