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propranolol-(18)O
SpectraBase Compound ID 2ZQjy9n57C3
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i19+2
InChIKey AQHHHDLHHXJYJD-SPLUINJESA-N
Mol Weight 261.35 g/mol
Molecular Formula C16H21NO18O
Exact Mass 261.161474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jLx4lYtwZK
Name propranolol-(18)O
Comments Original formula: C16H21NO[18O]
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Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/i19+2
InChIKey AQHHHDLHHXJYJD-SPLUINJESA-N
Instrument Name Micromass 70/70 SEQ
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19990330)13_6_534
Molecular Weight 261.349 g/mol
SMILES N(CC(C[18O]c1cccc2ccccc12)O)C(C)C
SPLASH splash10-00di-9200000000-9963b6af508ebc4d01b2
Source of Spectrum RCM-13-540-6
Wiley ID 1839054