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1,3-Xylyl-18-krone-5, 2-(benzo-1,3,2-dioxaborol-2-yl)-, *(15)NH3
SpectraBase Compound ID 7sH6sZyqF6C
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
InChIKey JIEUJGIGCNNBAB-UHFFFAOYSA-N
Mol Weight 431.3 g/mol
Molecular Formula C22H30BNO7
Exact Mass 431.211532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2I9iZwHRMEE
Name 1,3-XYLYL-18-CROWN-5, 2-(BENZO-1,3,2-DIOXABOROL-2-YL)-, *NH3
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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
InChIKey JIEUJGIGCNNBAB-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 431.2107
SMILES [NH3+][B-]1(Oc2ccccc2O1)c1c2COCCOCCOCCOCCOCc1ccc2
SPLASH splash10-03ds-8940100000-a4639eaaba2fe76983b4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany