For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Nadolol monobutylboronate
SpectraBase Compound ID 79e4MaSyvO2
InChI InChI=1S/C21H34BNO4/c1-5-6-10-22-26-19-11-15-8-7-9-18(17(15)12-20(19)27-22)25-14-16(24)13-23-21(2,3)4/h7-9,16,19-20,23-24H,5-6,10-14H2,1-4H3/t16?,19-,20+/m1/s1
InChIKey FQIYFDGMGFCJJG-OHAXFNJZSA-N
Mol Weight 375.3 g/mol
Molecular Formula C21H34BNO4
Exact Mass 375.258089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DO98MciVV31
Name Nadolol monobutylboronate
Alternate Name(s) 1-{[(3aS,9aR)-2-butyl-3a,4,9,9a-tetrahydronaphtho[2,3-d][1,3,2]dioxaborol-5-yl]oxy}-3-(tert-butylamino)-2-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34BNO4
InChI InChI=1S/C21H34BNO4/c1-5-6-10-22-26-19-11-15-8-7-9-18(17(15)12-20(19)27-22)25-14-16(24)13-23-21(2,3)4/h7-9,16,19-20,23-24H,5-6,10-14H2,1-4H3/t16?,19-,20+/m1/s1
InChIKey FQIYFDGMGFCJJG-OHAXFNJZSA-N
Molecular Weight 375.316 g/mol
SMILES N(CC(COc1c2C[C@@]3(OB(O[C@@]3(Cc2ccc1)[H])CCCC)[H])O)C(C)(C)C
SPLASH splash10-000i-9101000000-031f7823c1f2aab50315
Source of Spectrum JZ-1992-1055-0
Wiley ID 1357239