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1,3-Xylyl-18-crown-5,2-(benzo-1,3,2-dioxaborol-2-yl)-, *(15)NH3

View entire compound with spectra: 2 MS (GC)

1,3-Xylyl-18-crown-5,2-(benzo-1,3,2-dioxaborol-2-yl)-, *(15)NH3
SpectraBase Compound ID JVOLZnNZEc9
InChI InChI=1S/C22H30BNO7/c24-23(30-20-6-1-2-7-21(20)31-23)22-18-4-3-5-19(22)17-29-15-13-27-11-9-25-8-10-26-12-14-28-16-18/h1-7H,8-17H2,24H3/i24+1
InChIKey JIEUJGIGCNNBAB-MCHSYIMZSA-N
Mol Weight 432.3 g/mol
Molecular Formula C22H30B15NO7
Exact Mass 432.208567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xnANNbKO3L
Name 1,3-Xylyl-18-crown-5,2-(benzo-1,3,2-dioxaborol-2-yl)-, *(15)NH3
Alternate Name(s) 1,3-Xylyl-18-krone-5,2-(benzo-1,3,2-dioxaborol-2-yl)-, *(15)NH3
Comments Original formula: C22H30B[15N]O7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30BNO7
InChI InChI=1S/C22H30BNO7/c24-23(30-20-6-1-2-7-21(20)31-23)22-18-4-3-5-19(22)17-29-15-13-27-11-9-25-8-10-26-12-14-28-16-18/h1-7H,8-17H2,24H3/i24+1
InChIKey JIEUJGIGCNNBAB-MCHSYIMZSA-N
Molecular Weight 432.285 g/mol
SMILES c12O[B-](Oc1cccc2)(c1c2COCCOCCOCCOCCOCc1ccc2)[15NH3+]
SPLASH splash10-03ki-2980300000-159d73c435dd44293d13
Wiley ID 1490807