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Penbutolol-M (HO-) 2AC
SpectraBase Compound ID EPyIlCA2c78
InChI InChI=1S/C22H33NO5/c1-15(24)27-18-10-11-21(20(12-18)17-8-6-7-9-17)26-14-19(28-16(2)25)13-23-22(3,4)5/h10-12,17,19,23H,6-9,13-14H2,1-5H3
InChIKey HWWNUCYCIVKSEO-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H33NO5
Exact Mass 391.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60nSX0kEXo1
Name 2-Acetoxy-1-tert-butylamino-3-(4-acetoxy-2-cyclopentylphenoxy)propane
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Formula C22H33NO5
InChI InChI=1S/C22H33NO5/c1-15(24)27-18-10-11-21(20(12-18)17-8-6-7-9-17)26-14-19(28-16(2)25)13-23-22(3,4)5/h10-12,17,19,23H,6-9,13-14H2,1-5H3
InChIKey HWWNUCYCIVKSEO-UHFFFAOYSA-N
Molecular Weight 391.508 g/mol
SMILES N(CC(OC(=O)C)COc1c(cc(OC(=O)C)cc1)C1CCCC1)C(C)(C)C
SPLASH splash10-0a4i-9500000000-3580dafbebf10fa19e13
Source of Spectrum JC-382-160-62
Synonyms Acetic acid [4-[2-acetyloxy-3-(tert-butylamino)propoxy]-3-cyclopentylphenyl] ester [4-[2-acetyloxy-3-(tert-butylamino)propoxy]-3-cyclopentylphenyl] acetate [4-[2-acetoxy-3-(tert-butylamino)propoxy]-3-cyclopentyl-phenyl] acetate [4-[2-acetyloxy-3-(tert-butylamino)propoxy]-3-cyclopentyl-phenyl] ethanoate
Wiley ID 1365377