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Threo-guaiacylglycerol 8'-vanillin ether
SpectraBase Compound ID HtqoeVzlWW6
InChI InChI=1S/C18H20O7/c1-23-15-8-12(4-5-13(15)21)18(22)17(10-20)25-14-6-3-11(9-19)7-16(14)24-2/h3-9,17-18,20-22H,10H2,1-2H3/t17-,18-/m0/s1
InChIKey BRWKQWFEHBAUSN-ROUUACIJSA-N
Mol Weight 348.35 g/mol
Molecular Formula C18H20O7
Exact Mass 348.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UByr8T6euO
Name Threo-guaiacylglycerol 8'-vanillin ether
Alternate Name(s) 4-(((1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)oxy)-3-methoxybenzaldehyde
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Formula C18H20O7
InChI InChI=1S/C18H20O7/c1-23-15-8-12(4-5-13(15)21)18(22)17(10-20)25-14-6-3-11(9-19)7-16(14)24-2/h3-9,17-18,20-22H,10H2,1-2H3/t17-,18-/m0/s1
InChIKey BRWKQWFEHBAUSN-ROUUACIJSA-N
Literature Reference DOI 10.1002/pca.686
Molecular Weight 348.351 g/mol
SMILES Oc1ccc([C@@]([C@](CO)(Oc2ccc(cc2OC)C=O)[H])(O)[H])cc1OC
SPLASH splash10-0udi-0900000000-866873bd0b71e68ff4a3
Source of Spectrum PA-14-49-3a
Wiley ID 1789452