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(1R*,2R*,4R*)-and-(1S*,2R*,4R*)-4-Benzyloxy-1-[2-(1,3-dimethylhexahydro-2-oxo-1,3,5-triazin-5-yl)benzoyl]-2-vinylcyclohexane

View entire compound with spectra: 1 MS (GC)

(1R*,2R*,4R*)-and-(1S*,2R*,4R*)-4-Benzyloxy-1-[2-(1,3-dimethylhexahydro-2-oxo-1,3,5-triazin-5-yl)benzoyl]-2-vinylcyclohexane
SpectraBase Compound ID JFHPacMe0Y0
InChI InChI=1S/C27H33N3O3/c1-4-21-16-22(33-17-20-10-6-5-7-11-20)14-15-23(21)26(31)24-12-8-9-13-25(24)30-18-28(2)27(32)29(3)19-30/h4-13,21-23H,1,14-19H2,2-3H3/t21-,22+,23-/m1/s1
InChIKey AXTQAIRWTLRNGZ-XPWALMASSA-N
Mol Weight 447.6 g/mol
Molecular Formula C27H33N3O3
Exact Mass 447.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSK5qHXY1vW
Name (1R*,2R*,4R*)-and-(1S*,2R*,4R*)-4-Benzyloxy-1-[2-(1,3-dimethylhexahydro-2-oxo-1,3,5-triazin-5-yl)benzoyl]-2-vinylcyclohexane
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Formula C27H33N3O3
InChI InChI=1S/C27H33N3O3/c1-4-21-16-22(33-17-20-10-6-5-7-11-20)14-15-23(21)26(31)24-12-8-9-13-25(24)30-18-28(2)27(32)29(3)19-30/h4-13,21-23H,1,14-19H2,2-3H3/t21-,22+,23-/m1/s1
InChIKey AXTQAIRWTLRNGZ-XPWALMASSA-N
Molecular Weight 447.579 g/mol
SMILES C1N(CN(C(N1C)=O)C)c1c(C([C@]2([C@](C=C)(C[C@@](OCc3ccccc3)(CC2)[H])[H])[H])=O)cccc1
SPLASH splash10-001m-5931400000-11719a5b424918f37e82
Source of Spectrum F-69-9116-24
Wiley ID 1595994