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penbutolol-B-butyl-(N,B,O)cycloboronate derivative
SpectraBase Compound ID 2aouObbkDSd
InChI InChI=1S/C22H36BNO2/c1-5-6-15-23-24(22(2,3)4)16-19(26-23)17-25-21-14-10-9-13-20(21)18-11-7-8-12-18/h9-10,13-14,18-19H,5-8,11-12,15-17H2,1-4H3
InChIKey JOBUJCOHIBBISJ-UHFFFAOYSA-N
Mol Weight 357.3 g/mol
Molecular Formula C22H36BNO2
Exact Mass 357.28391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNvWlZnzxj
Name 3-tert-butyl-2-butyl-5-((2-cyclopentylphenoxy)methyl)-1,3,2-oxazaborolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36BNO2
InChI InChI=1S/C22H36BNO2/c1-5-6-15-23-24(22(2,3)4)16-19(26-23)17-25-21-14-10-9-13-20(21)18-11-7-8-12-18/h9-10,13-14,18-19H,5-8,11-12,15-17H2,1-4H3
InChIKey JOBUJCOHIBBISJ-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 357.345 g/mol
SMILES C1N(B(OC1COc1c(cccc1)C1CCCC1)CCCC)C(C)(C)C
SPLASH splash10-0006-3509000000-c12e58f5b76335f92aea
Source of Spectrum RCM-12-1154-Penbutolol-BBA
Wiley ID 1837760