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2-[(5R,7S,8S)-3-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID CflJ3Uc2nm0
InChI InChI=1S/C14H14O3/c1-8-2-3-10-11(6-8)12-7-9(4-5-15)14(17-12)13(10)16/h2-3,5-6,9,12,14H,4,7H2,1H3/t9-,12+,14-/m1/s1
InChIKey YZBMEZMCWHLVJH-LJWDBELGSA-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 2gtPGUslX8H
Name 2-[(5R,7S,8S)-3-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Alternate Name(s) 2-((5S,7S,8R)-3-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/c1-8-2-3-10-11(6-8)12-7-9(4-5-15)14(17-12)13(10)16/h2-3,5-6,9,12,14H,4,7H2,1H3/t9-,12+,14-/m1/s1
InChIKey YZBMEZMCWHLVJH-LJWDBELGSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 230.263 g/mol
SMILES C1[C@]([C@@]2(C(=O)c3ccc(cc3[C@]1(O2)[H])C)[H])(CC=O)[H]
SPLASH splash10-0002-0900000000-3f3e8b18f760e6d3c6e2
Source of Spectrum ACI-54-3043/SM26-4u
Wiley ID 1760446