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Bunitrolol AC
SpectraBase Compound ID FRgTcX64iG2
InChI InChI=1S/C16H22N2O3/c1-12(19)21-14(10-18-16(2,3)4)11-20-15-8-6-5-7-13(15)9-17/h5-8,14,18H,10-11H2,1-4H3
InChIKey JKGRIRYKFGSOTA-UHFFFAOYSA-N
Mol Weight 290.36 g/mol
Molecular Formula C16H22N2O3
Exact Mass 290.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bnjw0IB5xRp
Name 2-(tert-Butylamino)-1-[(2-cyanophenoxy)methyl]ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O3
InChI InChI=1S/C16H22N2O3/c1-12(19)21-14(10-18-16(2,3)4)11-20-15-8-6-5-7-13(15)9-17/h5-8,14,18H,10-11H2,1-4H3
InChIKey JKGRIRYKFGSOTA-UHFFFAOYSA-N
Molecular Weight 290.363 g/mol
SMILES N(CC(OC(=O)C)COc1c(C#N)cccc1)C(C)(C)C
SPLASH splash10-052s-9120000000-6b07e73253d2474af28e
Source of Spectrum NP-9-5179-0
Synonyms Bunitrolol, acetate (ester) Acetic acid [1-(tert-butylamino)-3-(2-cyanophenoxy)propan-2-yl] ester [1-(tert-butylamino)-3-(2-cyanophenoxy)propan-2-yl] acetate [1-[(tert-butylamino)methyl]-2-(2-cyanophenoxy)ethyl] acetate [1-(tert-butylamino)-3-(2-cyanophenoxy)propan-2-yl] ethanoate
Wiley ID 1108185