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Acebutolol methylboronate
SpectraBase Compound ID 3sKD6YVgSjn
InChI InChI=1S/C19H29BN2O4/c1-6-7-19(24)21-15-8-9-18(17(10-15)14(4)23)25-12-16-11-22(13(2)3)20(5)26-16/h8-10,13,16H,6-7,11-12H2,1-5H3,(H,21,24)
InChIKey QRPMYJMTESNFRQ-UHFFFAOYSA-N
Mol Weight 360.3 g/mol
Molecular Formula C19H29BN2O4
Exact Mass 360.222038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OB3MhOpYp6
Name Acebutolol methylboronate
CAS Registry Number 127201-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29BN2O4
InChI InChI=1S/C19H29BN2O4/c1-6-7-19(24)21-15-8-9-18(17(10-15)14(4)23)25-12-16-11-22(13(2)3)20(5)26-16/h8-10,13,16H,6-7,11-12H2,1-5H3,(H,21,24)
InChIKey QRPMYJMTESNFRQ-UHFFFAOYSA-N
Molecular Weight 360.261 g/mol
SMILES N(c1ccc(c(c1)C(C)=O)OCC1CN(B(C)O1)C(C)C)C(CCC)=O
SPLASH splash10-006x-8920000000-f3459ee847211e0b01ef
Source of Spectrum JZ-1992-1370-0
Synonyms N-[3-acetyl-4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]butanamide N-[3-acetyl-4-[(3-isopropyl-2-methyl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]butyramide N-[3-ethanoyl-4-[(2-methyl-3-propan-2-yl-1,3,2-oxazaborolidin-5-yl)methoxy]phenyl]butanamide
Wiley ID 1348290