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Timolol n-butylboronate
SpectraBase Compound ID BbxrKN4b87t
InChI InChI=1S/C17H31BN4O3S/c1-5-6-7-18-22(17(2,3)4)12-14(25-18)13-24-16-15(19-26-20-16)21-8-10-23-11-9-21/h14H,5-13H2,1-4H3
InChIKey ZOCRVTXPQRAHCP-UHFFFAOYSA-N
Mol Weight 382.3 g/mol
Molecular Formula C17H31BN4O3S
Exact Mass 382.220992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aSiifrb4xF
Name Timolol n-butylboronate
CAS Registry Number 214981-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31BN4O3S
InChI InChI=1S/C17H31BN4O3S/c1-5-6-7-18-22(17(2,3)4)12-14(25-18)13-24-16-15(19-26-20-16)21-8-10-23-11-9-21/h14H,5-13H2,1-4H3
InChIKey ZOCRVTXPQRAHCP-UHFFFAOYSA-N
Molecular Weight 382.330 g/mol
SMILES C(B1N(CC(COc2c(nsn2)N2CCOCC2)O1)C(C)(C)C)CCC
SPLASH splash10-06sl-6901000000-12c48e7d6013ea3e6c35
Source of Spectrum JZ-1992-1053-0
Synonyms 2-Butyl-3-tert-butyl-5-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxymethyl]-1,3,2-oxazaborolidine 2-Butyl-3-tert-butyl-5-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxymethyl]-1,3,2-oxazaborolidine 2-Butyl-3-tert-butyl-5-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxymethyl]-1,3,2-oxazaborolidine
Wiley ID 1360408