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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 Fyeld1QGlgT
Name 4-(4-((3-tert-butyl-2-butyl-1,3,2-oxazaborolidin-5-yl)methoxy)-1,2,5-thiadiazol-3-yl)morpholine
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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
Instrument Name Hewlett-Packard-5890A-5970B
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980915)12_17_1150
Molecular Weight 382.330 g/mol
SMILES C(Oc1nsnc1N1CCOCC1)C1OB(CCCC)N(C1)C(C)(C)C
SPLASH splash10-01qc-2901000000-805c79f07e2838048b26
Source of Spectrum RCM-12-1155-Timolol-BBA
Wiley ID 1837768