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(2R,3R) 2-(4-Hydroxyphenyl)-3-hydroxymethyl-6-formylbenzo[1,4]dioxane
SpectraBase Compound ID DCN9NZKwW1q
InChI InChI=1S/C16H14O5/c17-8-10-1-6-13-14(7-10)20-15(9-18)16(21-13)11-2-4-12(19)5-3-11/h1-8,15-16,18-19H,9H2/t15-,16-/m1/s1
InChIKey PKELUSJOSJJGLE-HZPDHXFCSA-N
Mol Weight 286.28 g/mol
Molecular Formula C16H14O5
Exact Mass 286.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sYaaiIuvPr
Name (2R,3R) 2-(4-Hydroxyphenyl)-3-hydroxymethyl-6-formylbenzo[1,4]dioxane
Alternate Name(s) (2R,3R)-3-(hydroxymethyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-carbaldehyde 2-(4-Hydroxyphenyl)-3-hydroxymethyl-6-formylbenzo[1,4]dioxane
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Formula C16H14O5
InChI InChI=1S/C16H14O5/c17-8-10-1-6-13-14(7-10)20-15(9-18)16(21-13)11-2-4-12(19)5-3-11/h1-8,15-16,18-19H,9H2/t15-,16-/m1/s1
InChIKey PKELUSJOSJJGLE-HZPDHXFCSA-N
Molecular Weight 286.283 g/mol
SMILES OC[C@]1(Oc2c(O[C@@]1(c1ccc(cc1)O)[H])ccc(c2)C=O)[H]
SPLASH splash10-00kr-0290000000-bd510f23bc74d2f3f48b
Source of Spectrum AT-40-4570-8
Wiley ID 854500