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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 4CH1xn0EkAP
Name betaxolol-B-butyl-(N,B,O)cycloboronate derivative
Alternate Name(s) 2-Butyl-5-({4-[2-(cyclopropylmethoxy)ethyl]phenoxy}methyl)-3-isopropyl-1,3,2-oxazaborolidine
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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
Molecular Weight 373.344 g/mol
SMILES C1N(B(OC1COc1ccc(cc1)CCOCC1CC1)CCCC)C(C)C
SPLASH splash10-0a4i-0109000000-c83846559f7807a2d1fc
Source of Spectrum JC-488-364-0
Wiley ID 1356177