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2,6-Epoxy-2H-1-benzoxocin-5,8-diol, 3,4,5,6-tetrahydro-6-methyl-, (2.alpha.,5.beta.,6.alpha.)-(.+-.)-
SpectraBase Compound ID GUEWBMqlBI8
InChI InChI=1S/C12H14O4/c1-12-8-6-7(13)2-3-9(8)15-11(16-12)5-4-10(12)14/h2-3,6,10-11,13-14H,4-5H2,1H3/t10-,11+,12+/m1/s1
InChIKey HGOJVQQQZLWGMU-WOPDTQHZSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB8czzUS6qJ
Name 2,6-Epoxy-2H-1-benzoxocin-5,8-diol, 3,4,5,6-tetrahydro-6-methyl-, (2.alpha.,5.beta.,6.alpha.)-(.+-.)-
CAS Registry Number 131723-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-12-8-6-7(13)2-3-9(8)15-11(16-12)5-4-10(12)14/h2-3,6,10-11,13-14H,4-5H2,1H3/t10-,11+,12+/m1/s1
InChIKey HGOJVQQQZLWGMU-WOPDTQHZSA-N
Molecular Weight 222.240 g/mol
SMILES Oc1ccc2c([C@]3([C@@](CC[C@@](O2)(O3)[H])(O)[H])C)c1
SPLASH splash10-0079-0950000000-65a890ab733f367e2162
Source of Spectrum J-56-1371-21
Synonyms (1S,9S,12R)-1-methyl-8,13-dioxatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-4,12-diol Benzoxocin
Wiley ID 1222293