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Propranolol n-butylboronate
SpectraBase Compound ID KDvP7SYI381
InChI InChI=1S/C20H28BNO2/c1-4-5-13-21-22(16(2)3)14-18(24-21)15-23-20-12-8-10-17-9-6-7-11-19(17)20/h6-12,16,18H,4-5,13-15H2,1-3H3
InChIKey QUPLXAYLHQDNCE-UHFFFAOYSA-N
Mol Weight 325.3 g/mol
Molecular Formula C20H28BNO2
Exact Mass 325.221309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTTRG0DgTqr
Name Propranolol n-butylboronate
CAS Registry Number 127202-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28BNO2
InChI InChI=1S/C20H28BNO2/c1-4-5-13-21-22(16(2)3)14-18(24-21)15-23-20-12-8-10-17-9-6-7-11-19(17)20/h6-12,16,18H,4-5,13-15H2,1-3H3
InChIKey QUPLXAYLHQDNCE-UHFFFAOYSA-N
Molecular Weight 325.259 g/mol
SMILES C1N(B(OC1COc1c2c(cccc2)ccc1)CCCC)C(C)C
SPLASH splash10-004i-1904000000-8d6ff9f910ec356f36f7
Source of Spectrum JC-488-364-0
Synonyms 2-Butyl-3-isopropyl-5-(1-naphthoxymethyl)-1,3,2-oxazaborolidine 2-Butyl-3-isopropyl-5-(1-naphthyloxymethyl)-1,3,2-oxazaborolidine 2-Butyl-5-(1-naphthalenyloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine 2-Butyl-5-(naphthalen-1-yloxymethyl)-3-propan-2-yl-1,3,2-oxazaborolidine
Wiley ID 1324183