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[(1S,4S,5S,7S)-3-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanol
SpectraBase Compound ID HTISyotMSmC
InChI InChI=1S/C21H25NO4/c1-24-17-9-7-16(8-10-17)12-22-13-19-20(14-23)26-21(25-19)18(22)11-15-5-3-2-4-6-15/h2-10,18-21,23H,11-14H2,1H3/t18-,19-,20-,21-/m0/s1
InChIKey RAGQGFJWJPTQAS-TUFLPTIASA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXjxYeugcXQ
Name [(1S,4S,5S,7S)-3-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-24-17-9-7-16(8-10-17)12-22-13-19-20(14-23)26-21(25-19)18(22)11-15-5-3-2-4-6-15/h2-10,18-21,23H,11-14H2,1H3/t18-,19-,20-,21-/m0/s1
InChIKey RAGQGFJWJPTQAS-TUFLPTIASA-N
Molecular Weight 355.434 g/mol
SMILES OC[C@]1([C@@]2(CN([C@]([C@](O1)(O2)[H])(Cc1ccccc1)[H])Cc1ccc(cc1)OC)[H])[H]
SPLASH splash10-00di-0900000000-549c54446a458684591e
Source of Spectrum J-64-7360-71
Synonyms [(1S,4S,5S,7S)-4-benzyl-3-p-anisyl-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanol [(1S,4S,5S,7S)-4-benzyl-3-[(4-methoxyphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octan-7-yl]methanol
Wiley ID 1531104