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(2S,6R)-6-{2-{4-[(4-Bromobenzoyl)oxy]phenyl}ethyl}-2-(4-methoxyphenyl)tetrahydro-2H-pyran
SpectraBase Compound ID BC201zg1zIb
InChI InChI=1S/C27H27BrO4/c1-30-23-17-10-20(11-18-23)26-4-2-3-24(31-26)14-5-19-6-15-25(16-7-19)32-27(29)21-8-12-22(28)13-9-21/h6-13,15-18,24,26H,2-5,14H2,1H3/t24-,26+/m1/s1
InChIKey DQTOVABGNJWAKX-RSXGOPAZSA-N
Mol Weight 495.41 g/mol
Molecular Formula C27H27BrO4
Exact Mass 494.109272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1QsZoNp1sI
Name (2S,6R)-6-{2-{4-[(4-Bromobenzoyl)oxy]phenyl}ethyl}-2-(4-methoxyphenyl)tetrahydro-2H-pyran
Alternate Name(s) 4-{2-[(2R,6S)-6-(4-Methoxyphenyl)tetrahydro-2H-pyran-2-yl]ethyl}phenyl 4-Bromobenzoate 4-{2-[(2R,6S)-Tetrahydro-6-(4-methoxyphenyl)-2H-pyran-2-yl]ethyl}phenol 4-Bromobenzoate 4-(2-((2R,6S)-6-(4-methoxyphenyl)tetrahydro-2H-pyran-2-yl)ethyl)phenyl 4-bromobenzoate
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Formula C27H27BrO4
InChI InChI=1S/C27H27BrO4/c1-30-23-17-10-20(11-18-23)26-4-2-3-24(31-26)14-5-19-6-15-25(16-7-19)32-27(29)21-8-12-22(28)13-9-21/h6-13,15-18,24,26H,2-5,14H2,1H3/t24-,26+/m1/s1
InChIKey DQTOVABGNJWAKX-RSXGOPAZSA-N
Literature Reference DOI 10.1002/hlca.201000096
Molecular Weight 495.413 g/mol
SMILES c1cc(ccc1OC)[C@]1(O[C@](CCC1)(CCc1ccc(cc1)OC(c1ccc(cc1)Br)=O)[H])[H]
SPLASH splash10-0c01-0901000000-fe02d3b21d57c9ba6136
Source of Spectrum H-93-1295-14
Wiley ID 1783996