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2-[(5R,6R,7R,8S)-6-benzyl-8-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID 2X4evJKyEC0
InChI InChI=1S/C21H20O3/c1-21-18(11-12-22)17(13-14-7-3-2-4-8-14)19(24-21)15-9-5-6-10-16(15)20(21)23/h2-10,12,17-19H,11,13H2,1H3/t17-,18-,19-,21-/m1/s1
InChIKey NZICVUAFRAMBHU-ANTGDGSKSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GgBD0UHRes
Name 2-[(5R,6R,7R,8S)-6-benzyl-8-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Alternate Name(s) 2-((5S,6R,7R,8R)-6-benzyl-8-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
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Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-21-18(11-12-22)17(13-14-7-3-2-4-8-14)19(24-21)15-9-5-6-10-16(15)20(21)23/h2-10,12,17-19H,11,13H2,1H3/t17-,18-,19-,21-/m1/s1
InChIKey NZICVUAFRAMBHU-ANTGDGSKSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 320.388 g/mol
SMILES [C@]1(Cc2ccccc2)([C@@](CC=O)([C@]2(O[C@]1([H])c1ccccc1C2=O)C)[H])[H]
SPLASH splash10-03di-4920000000-5a308b7ba82f04214049
Source of Spectrum ACI-54-3043/SM25-4t
Wiley ID 1760445