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(5R,7R,8S)-7-(2-hydroxyethyl)-6,6-dimethyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID JQldhTHbxHe
InChI InChI=1S/C15H18O3/c1-15(2)11(7-8-16)13-12(17)9-5-3-4-6-10(9)14(15)18-13/h3-6,11,13-14,16H,7-8H2,1-2H3/t11-,13+,14+/m0/s1
InChIKey DEESEMQPTSTBST-IACUBPJLSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gy1wo12oHy
Name (5R,7R,8S)-7-(2-hydroxyethyl)-6,6-dimethyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-15(2)11(7-8-16)13-12(17)9-5-3-4-6-10(9)14(15)18-13/h3-6,11,13-14,16H,7-8H2,1-2H3/t11-,13+,14+/m0/s1
InChIKey DEESEMQPTSTBST-IACUBPJLSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 246.306 g/mol
SMILES OCC[C@@]1(C([C@]2(c3c(C([C@@]1(O2)[H])=O)cccc3)[H])(C)C)[H]
SPLASH splash10-00kb-2900000000-67f9a594296492ea765d
Source of Spectrum ACI-54-3043/SM20-5o
Synonyms (5S,7R,8R)-7-(2-hydroxyethyl)-6,6-dimethyl-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Wiley ID 1760466