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3trans-(4-Hydroxy-3-methoxyphenyl)-1,4-benzodioxan-2rel-carboxylic acid ethy ester
SpectraBase Compound ID 4KHlXiHnSkP
InChI InChI=1S/C18H18O6/c1-3-22-18(20)17-16(11-8-9-12(19)15(10-11)21-2)23-13-6-4-5-7-14(13)24-17/h4-10,16-17,19H,3H2,1-2H3/t16-,17+/m1/s1
InChIKey OHJACWCRBKOLFS-SJORKVTESA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvcME5IKnfF
Name 3trans-(4-Hydroxy-3-methoxyphenyl)-1,4-benzodioxan-2rel-carboxylic acid ethy ester
Alternate Name(s) Ethyl (2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate
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Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-3-22-18(20)17-16(11-8-9-12(19)15(10-11)21-2)23-13-6-4-5-7-14(13)24-17/h4-10,16-17,19H,3H2,1-2H3/t16-,17+/m1/s1
InChIKey OHJACWCRBKOLFS-SJORKVTESA-N
Literature Reference DOI 10.1002/cber.19751080517
Molecular Weight 330.336 g/mol
SMILES Oc1c(cc([C@]2(Oc3ccccc3O[C@@]2(C(=O)OCC)[H])[H])cc1)OC
SPLASH splash10-0089-0795000000-b3972f7ec1a630b73f6a
Source of Spectrum K-108-1494-17
Wiley ID 1793895