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(5R,6S,7R,8S)-7-(2-hydroxyethyl)-6-methyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
SpectraBase Compound ID HuVYiBwJnXg
InChI InChI=1S/C14H16O3/c1-8-9(6-7-15)14-12(16)10-4-2-3-5-11(10)13(8)17-14/h2-5,8-9,13-15H,6-7H2,1H3/t8-,9+,13-,14+/m0/s1
InChIKey NIQSPFVLPWDUNE-KNUWBNEDSA-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 7iiVnsG6cir
Name (5R,6S,7R,8S)-7-(2-hydroxyethyl)-6-methyl-5,6,7,8-tetrahydro-9H-5,8-epoxybenzo[7]annulen-9-one
Alternate Name(s) (5S,6S,7R,8R)-7-(2-hydroxyethyl)-6-methyl-7,8-dihydro-5H-5,8-epoxybenzo[7]annulen-9(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-8-9(6-7-15)14-12(16)10-4-2-3-5-11(10)13(8)17-14/h2-5,8-9,13-15H,6-7H2,1H3/t8-,9+,13-,14+/m0/s1
InChIKey NIQSPFVLPWDUNE-KNUWBNEDSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 232.279 g/mol
SMILES OCC[C@@]1([C@@]([C@]2(c3ccccc3C([C@@]1(O2)[H])=O)[H])(C)[H])[H]
SPLASH splash10-0292-1900000000-0fca66c0b888222ef6b6
Source of Spectrum ACI-54-3043/SM5-5'b
Wiley ID 1760448