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[Hpcy3]-BPH4

View entire compound with spectra: 2 NMR

[Hpcy3]-BPH4
SpectraBase Compound ID 5O43G73TwL1
InChI InChI=1S/C24H20B.C18H33P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H;16-18H,1-15H2/q-1;/p+1
InChIKey OBOBNHQUEGFKOA-UHFFFAOYSA-O
Mol Weight 600.7 g/mol
Molecular Formula C42H54BP
Exact Mass 600.405619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2nBHcKUDUE
Name [Hpcy3]-BPH4
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.405618907 u
Formula C42H54BP
InChI InChI=1S/C24H20B.C18H33P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H;16-18H,1-15H2/q-1;/p+1
InChIKey OBOBNHQUEGFKOA-UHFFFAOYSA-O
Molecular Weight 600.678 g/mol
SMILES C=1([B-](C=2C=CC=CC2)(C=2C=CC=CC2)C=2C=CC=CC2)C=CC=CC1.C1([PH+](C2CCCCC2)C2CCCCC2)CCCCC1