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1(2),2(22)-Bis(dihydroxyboro)-2,21,23,42-tetraoxa-1,22(1,3)-dibenzenacyclodotetracontaphane
SpectraBase Compound ID HnHanV37tXh
InChI InChI=1S/C48H82B2O8/c51-49(52)47-43-35-33-37-45(47)57-41-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-32-42-58-46-38-34-36-44(48(46)50(53)54)56-40-30-26-22-18-14-10-6-2-1-5-9-13-17-21-25-29-39-55-43/h33-38,51-54H,1-32,39-42H2
InChIKey MEKIQTPGKBQMJY-UHFFFAOYSA-N
Mol Weight 808.8 g/mol
Molecular Formula C48H82B2O8
Exact Mass 808.61958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQg4lG8ypxH
Name 1(2),2(22)-Bis(dihydroxyboro)-2,21,23,42-tetraoxa-1,22(1,3)-dibenzenacyclodotetracontaphane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H82B2O8
InChI InChI=1S/C48H82B2O8/c51-49(52)47-43-35-33-37-45(47)57-41-31-27-23-19-15-11-7-3-4-8-12-16-20-24-28-32-42-58-46-38-34-36-44(48(46)50(53)54)56-40-30-26-22-18-14-10-6-2-1-5-9-13-17-21-25-29-39-55-43/h33-38,51-54H,1-32,39-42H2
InChIKey MEKIQTPGKBQMJY-UHFFFAOYSA-N
Molecular Weight 808.796 g/mol
SMILES OB(c1c2OCCCCCCCCCCCCCCCCCCOc3c(B(O)O)c(OCCCCCCCCCCCCCCCCCCOc1ccc2)ccc3)O
SPLASH splash10-00di-0000000900-549aa018cee49e67c23f
Source of Spectrum U1-2011-5857-27e
Wiley ID 1688660