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2-[(5R,7R,8S)-7-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID CYfTLIkt5eo
InChI InChI=1S/C14H14O3/c1-14(6-7-15)8-11-9-4-2-3-5-10(9)12(16)13(14)17-11/h2-5,7,11,13H,6,8H2,1H3/t11-,13-,14+/m0/s1
InChIKey ZRMNGJQCJOMLIT-FPMFFAJLSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82qxp5e4Nm0
Name 2-[(5R,7R,8S)-7-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Alternate Name(s) 2-((5S,7S,8R)-7-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
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Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-14(6-7-15)8-11-9-4-2-3-5-10(9)12(16)13(14)17-11/h2-5,7,11,13H,6,8H2,1H3/t11-,13-,14+/m0/s1
InChIKey ZRMNGJQCJOMLIT-FPMFFAJLSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 230.263 g/mol
SMILES C1[C@]([C@@]2(C(=O)c3ccccc3[C@]1(O2)[H])[H])(CC=O)C
SPLASH splash10-001i-1900000000-d6db3801601106cddf4f
Source of Spectrum ACI-54-3043/SM21-4p
Wiley ID 1760441