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(5aR,9aR)-5a,6,7,8,9,9a-Hexahydrodibenzo[1,4]dioxin-2,3-diol
SpectraBase Compound ID 6id5R4tnlBq
InChI InChI=1S/C12H14O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h5-6,9-10,13-14H,1-4H2/t9-,10-/m1/s1
InChIKey ISCFBKFVMVXAPJ-NXEZZACHSA-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 1uUe1GDZOi
Name (5aR,9aR)-5a,6,7,8,9,9a-Hexahydrodibenzo[1,4]dioxin-2,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h5-6,9-10,13-14H,1-4H2/t9-,10-/m1/s1
InChIKey ISCFBKFVMVXAPJ-NXEZZACHSA-N
Molecular Weight 222.240 g/mol
SMILES Oc1c(cc2c(c1)O[C@]1([C@](O2)(CCCC1)[H])[H])O
SPLASH splash10-00ec-3950000000-49bd8ef9afc97532d8bc
Source of Spectrum CV-2002-2713-5
Synonyms (5aR,9aR)-5a,6,7,8,9,9a-hexahydrodibenzo[b,e][1,4]dioxin-2,3-diol trans-5a,6,7,8,9,9a-hexahydrodibenzo[1,4]dioxin-2,3-diol
Wiley ID 1610737