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Atenolol methylboronate

View entire compound with spectra: 1 MS (GC)

Atenolol methylboronate
SpectraBase Compound ID 1jGBpisfwnZ
InChI InChI=1S/C15H23BN2O3/c1-11(2)18-9-14(21-16(18)3)10-20-13-6-4-12(5-7-13)8-15(17)19/h4-7,11,14H,8-10H2,1-3H3,(H2,17,19)
InChIKey RTMDQVZAMODPRU-UHFFFAOYSA-N
Mol Weight 290.2 g/mol
Molecular Formula C15H23BN2O3
Exact Mass 290.180173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSNNhqXRgCY
Name Atenolol methylboronate
Alternate Name(s) 2-[4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]acetamide 2-[4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]ethanamide
CAS Registry Number 127201-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23BN2O3
InChI InChI=1S/C15H23BN2O3/c1-11(2)18-9-14(21-16(18)3)10-20-13-6-4-12(5-7-13)8-15(17)19/h4-7,11,14H,8-10H2,1-3H3,(H2,17,19)
InChIKey RTMDQVZAMODPRU-UHFFFAOYSA-N
Molecular Weight 290.170 g/mol
SMILES NC(Cc1ccc(cc1)OCC1CN(B(C)O1)C(C)C)=O
SPLASH splash10-004i-9570000000-368d0c3cb30d9f0b4de7
Source of Spectrum JZ-1992-1358-0
Wiley ID 1293479