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5'-Isosorbide 2-( 6'-methoxy-2'-naphthyl)propionate
SpectraBase Compound ID D2iuIgMMtzH
InChI InChI=1S/C20H22O6/c1-12(13-3-4-15-10-16(23-2)6-5-14(15)9-13)19(21)26-20(22)11-25-17-7-8-24-18(17)20/h3-6,9-10,12,17-18,22H,7-8,11H2,1-2H3/t12?,17-,18+,20+/m1/s1
InChIKey DEYSMPKEXPDPGP-CNHBOSQPSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOk9DL3CtML
Name 5'-Isosorbide 2-( 6'-methoxy-2'-naphthyl)propionate
Alternate Name(s) (3S,3aS,6aR)-3-hydroxy-hexahydrofuro[3,2-b]furan-3-yl 2-(6-methoxynaphthalen-2-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-12(13-3-4-15-10-16(23-2)6-5-14(15)9-13)19(21)26-20(22)11-25-17-7-8-24-18(17)20/h3-6,9-10,12,17-18,22H,7-8,11H2,1-2H3/t12?,17-,18+,20+/m1/s1
InChIKey DEYSMPKEXPDPGP-CNHBOSQPSA-N
Molecular Weight 358.390 g/mol
SMILES O[C@]1([C@@]2([C@](CCO2)([H])OC1)[H])OC(C(c1cc2ccc(cc2cc1)OC)C)=O
SPLASH splash10-000i-0900000000-e42d3f9d100d598329bc
Source of Spectrum D8-327-344-31
Wiley ID 1515238