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Penbutolol-A (CH2O,-H2O)
SpectraBase Compound ID 6ZUJvKlyltW
InChI InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3
InChIKey DAPWZKQHDPYJPN-UHFFFAOYSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkfcnA6LJKf
Name 1-[(N'-t-butyloxazolidin-5'-yl)methoxy]-2-cyclopentylbenzene / penbutolol-(M+12)-artifact
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Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-19(2,3)20-12-16(22-14-20)13-21-18-11-7-6-10-17(18)15-8-4-5-9-15/h6-7,10-11,15-16H,4-5,8-9,12-14H2,1-3H3
InChIKey DAPWZKQHDPYJPN-UHFFFAOYSA-N
Molecular Weight 303.446 g/mol
SMILES C1N(CC(O1)COc1c(C2CCCC2)cccc1)C(C)(C)C
SPLASH splash10-000i-7191000000-cd4e668a3af753a21b02
Source of Spectrum JC-563-79-0
Synonyms (3-tert-butyl-1,3-oxazolidin-5-yl)methyl 2-cyclopentylphenyl ether 3-tert-Butyl-5-[(2-cyclopentylphenoxy)methyl]-1,3-oxazolidine
Wiley ID 1305793