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syn-(2R*,1'R*)-2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone
SpectraBase Compound ID GIK20LhCmXh
InChI InChI=1S/C17H24O5/c1-20-14-9-11(10-15(21-2)17(14)22-3)16(19)12-7-5-4-6-8-13(12)18/h9-10,12,16,19H,4-8H2,1-3H3/t12-,16-/m0/s1
InChIKey IQFGCKAYFZLCKE-LRDDRELGSA-N
Mol Weight 308.37 g/mol
Molecular Formula C17H24O5
Exact Mass 308.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TdBkHOEjXk
Name syn-(2R*,1'R*)-2-[Hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone
Comments Less than 3 mono-isotopic peaks
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Formula C17H24O5
InChI InChI=1S/C17H24O5/c1-20-14-9-11(10-15(21-2)17(14)22-3)16(19)12-7-5-4-6-8-13(12)18/h9-10,12,16,19H,4-8H2,1-3H3/t12-,16-/m0/s1
InChIKey IQFGCKAYFZLCKE-LRDDRELGSA-N
Molecular Weight 308.374 g/mol
SMILES O[C@]([C@@]1(C(=O)CCCCC1)[H])(c1cc(OC)c(c(c1)OC)OC)[H]
SPLASH splash10-0002-0902000000-2c272327b8b1ebe5e888
Source of Spectrum F-54-10399-5
Synonyms (2R)-2-[(R)-hydroxy(3,4,5-trimethoxyphenyl)methyl]cycloheptanone
Wiley ID 808502