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Atenolol n-butylboronate

View entire compound with spectra: 4 MS (GC)

Atenolol n-butylboronate
SpectraBase Compound ID 98NxNZZbZvC
InChI InChI=1S/C18H29BN2O3/c1-4-5-10-19-21(14(2)3)12-17(24-19)13-23-16-8-6-15(7-9-16)11-18(20)22/h6-9,14,17H,4-5,10-13H2,1-3H3,(H2,20,22)
InChIKey DCAZCPGJKMQVIK-UHFFFAOYSA-N
Mol Weight 332.3 g/mol
Molecular Formula C18H29BN2O3
Exact Mass 332.227123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhMEvvNjrhr
Name Atenolol n-butylboronate
Alternate Name(s) 2-[4-[(2-butyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide 2-[4-[(2-butyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]ethanamide
CAS Registry Number 127202-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29BN2O3
InChI InChI=1S/C18H29BN2O3/c1-4-5-10-19-21(14(2)3)12-17(24-19)13-23-16-8-6-15(7-9-16)11-18(20)22/h6-9,14,17H,4-5,10-13H2,1-3H3,(H2,20,22)
InChIKey DCAZCPGJKMQVIK-UHFFFAOYSA-N
Molecular Weight 332.251 g/mol
SMILES NC(Cc1ccc(cc1)OCC1CN(B(CCCC)O1)C(C)C)=O
SPLASH splash10-014i-2419000000-959f13c075f6a0db706c
Source of Spectrum JZ-1992-788-0
Wiley ID 1329415