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(5R,7R,8S)-7-(2-hydroxyehtyl)-8-methyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID 7EiugBtPqHW
InChI InChI=1S/C14H16O3/c1-14-9(6-7-15)8-12(17-14)10-4-2-3-5-11(10)13(14)16/h2-5,9,12,15H,6-8H2,1H3/t9-,12+,14-/m1/s1
InChIKey YSXCHPKWWMIEJL-LJWDBELGSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VPdJTWeikB
Name (5R,7R,8S)-7-(2-hydroxyehtyl)-8-methyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-14-9(6-7-15)8-12(17-14)10-4-2-3-5-11(10)13(14)16/h2-5,9,12,15H,6-8H2,1H3/t9-,12+,14-/m1/s1
InChIKey YSXCHPKWWMIEJL-LJWDBELGSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 232.279 g/mol
SMILES OCC[C@@]1(C[C@]2(c3c(cccc3)C([C@@]1(O2)C)=O)[H])[H]
SPLASH splash10-001i-4900000000-cd0c92430bdf8933e129
Source of Spectrum ACI-54-3043/SM23-5r
Synonyms (5S,7R,8R)-7-(2-hydroxyethyl)-8-methyl-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Wiley ID 1760469