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2-[(5R,6R,7R,8S)-6-benzyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID 1TIxCOoEQ71
InChI InChI=1S/C20H18O3/c21-11-10-16-17(12-13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)18(22)20(16)23-19/h1-9,11,16-17,19-20H,10,12H2/t16-,17-,19-,20-/m1/s1
InChIKey YTAHHQVUBMJLKY-HNBVOPMISA-N
Mol Weight 306.36 g/mol
Molecular Formula C20H18O3
Exact Mass 306.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABqjMGXwUwU
Name 2-[(5R,6R,7R,8S)-6-benzyl-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-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
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Formula C20H18O3
InChI InChI=1S/C20H18O3/c21-11-10-16-17(12-13-6-2-1-3-7-13)19-15-9-5-4-8-14(15)18(22)20(16)23-19/h1-9,11,16-17,19-20H,10,12H2/t16-,17-,19-,20-/m1/s1
InChIKey YTAHHQVUBMJLKY-HNBVOPMISA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 306.361 g/mol
SMILES c1ccc2c(c1)C(=O)[C@@]1(O[C@@]2([H])[C@](Cc2ccccc2)([C@]1(CC=O)[H])[H])[H]
SPLASH splash10-00kg-8900000000-b96d9d1941719ff2f33b
Source of Spectrum ACI-54-3043/SM18-4m
Wiley ID 1760439