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(1R,7R)-(+)-1,7-Diphenyl-4-[N-((4-methoxyphenyl)methyl)amino]heptane-1,7-diol
SpectraBase Compound ID 6fzK4bIrXKZ
InChI InChI=1S/C27H33NO3/c1-31-25-16-12-21(13-17-25)20-28-24(14-18-26(29)22-8-4-2-5-9-22)15-19-27(30)23-10-6-3-7-11-23/h2-13,16-17,24,26-30H,14-15,18-20H2,1H3/t26-,27-/m1/s1
InChIKey SYVHQOVCKHXMRO-KAYWLYCHSA-N
Mol Weight 419.6 g/mol
Molecular Formula C27H33NO3
Exact Mass 419.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtpnbLH8Us5
Name (1R,7R)-(+)-1,7-Diphenyl-4-[N-((4-methoxyphenyl)methyl)amino]heptane-1,7-diol
Alternate Name(s) (1R,7R)-4-[(4-methoxybenzyl)amino]-1,7-diphenyl-1,7-heptanediol (1R,7R)-4-[(4-methoxyphenyl)methylamino]-1,7-diphenylheptane-1,7-diol (1R,7R)-4-[(4-methoxyphenyl)methylamino]-1,7-diphenyl-heptane-1,7-diol
Comments Less than 3 mono-isotopic peaks
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Formula C27H33NO3
InChI InChI=1S/C27H33NO3/c1-31-25-16-12-21(13-17-25)20-28-24(14-18-26(29)22-8-4-2-5-9-22)15-19-27(30)23-10-6-3-7-11-23/h2-13,16-17,24,26-30H,14-15,18-20H2,1H3/t26-,27-/m1/s1
InChIKey SYVHQOVCKHXMRO-KAYWLYCHSA-N
Molecular Weight 419.565 g/mol
SMILES N(Cc1ccc(cc1)OC)C(CC[C@](c1ccccc1)(O)[H])CC[C@](c1ccccc1)(O)[H]
SPLASH splash10-00di-0900000000-249f8b7cce11d85b49e3
Source of Spectrum J-64-1731-5
Wiley ID 1529570