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betaxolol-B-butyl-(N,B,O)cycloboronate derivative
SpectraBase Compound ID 9gyVQvvpVIx
InChI InChI=1S/C22H36BNO3/c1-4-5-13-23-24(18(2)3)15-22(27-23)17-26-21-10-8-19(9-11-21)12-14-25-16-20-6-7-20/h8-11,18,20,22H,4-7,12-17H2,1-3H3
InChIKey UKVVMLFOPMASMR-UHFFFAOYSA-N
Mol Weight 373.3 g/mol
Molecular Formula C22H36BNO3
Exact Mass 373.278824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NpWnsyLZuo
Name 2-butyl-5-((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-3-isopropyl-1,3,2-oxazaborolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36BNO3
InChI InChI=1S/C22H36BNO3/c1-4-5-13-23-24(18(2)3)15-22(27-23)17-26-21-10-8-19(9-11-21)12-14-25-16-20-6-7-20/h8-11,18,20,22H,4-7,12-17H2,1-3H3
InChIKey UKVVMLFOPMASMR-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 373.344 g/mol
SMILES c1(ccc(cc1)OCC1CN(B(O1)CCCC)C(C)C)CCOCC1CC1
SPLASH splash10-0a4i-8908000000-1a5049571b2b5eea026b
Source of Spectrum RCM-12-1156-.beta.xolol-BBA
Wiley ID 1837751