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2-[(5R,7S,8S)-8-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID AN4sTomr3IF
InChI InChI=1S/C14H14O3/c1-14-9(6-7-15)8-12(17-14)10-4-2-3-5-11(10)13(14)16/h2-5,7,9,12H,6,8H2,1H3/t9-,12+,14-/m1/s1
InChIKey ZNGXGRMVQGVOEC-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 3CnzrvGs2eL
Name 2-[(5R,7S,8S)-8-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Alternate Name(s) 2-((5S,7S,8R)-8-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/c1-14-9(6-7-15)8-12(17-14)10-4-2-3-5-11(10)13(14)16/h2-5,7,9,12H,6,8H2,1H3/t9-,12+,14-/m1/s1
InChIKey ZNGXGRMVQGVOEC-LJWDBELGSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 230.263 g/mol
SMILES C1[C@]([C@@]2(C(=O)c3c([C@]1(O2)[H])cccc3)C)(CC=O)[H]
SPLASH splash10-001i-1900000000-32ba43de609bfdded147
Source of Spectrum ACI-54-3043/SM23-4r
Wiley ID 1760443