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.alpha.-D-arabino-Hexopyranoside, methyl 2,6-dideoxy-, 4-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate)
SpectraBase Compound ID FBJyLScSLM8
InChI InChI=1S/C16H20Cl2O7/c1-6-10(15(23-4)12(18)13(20)11(6)17)16(21)25-14-7(2)24-9(22-3)5-8(14)19/h7-9,14,19-20H,5H2,1-4H3/t7-,8-,9-,14-/m1/s1
InChIKey QGVGOCYDLCAEEN-UZVNTWEBSA-N
Mol Weight 395.24 g/mol
Molecular Formula C16H20Cl2O7
Exact Mass 394.058608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPr3gjuf3H7
Name .alpha.-D-arabino-Hexopyranoside, methyl 2,6-dideoxy-, 4-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate)
Alternate Name(s) D-arabino-Hexopyranoside, methyl 2,6-dideoxy-, 4-(3,5-dichloro-6-methoxy-4,2-cresotate), .alpha.- 4,2-Cresotic acid, 3,5-dichloro-6-methoxy-, 4-ester with methyl 2,6-dideoxy-.alpha.-D-arabino-hexopyranoside Methyl .alpha.-curacinoside methyl 2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-.beta.-D-arabino-hexopyranoside Methyl 4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-2,6-dideoxy-.alpha.-D-arabino-hexopyranoside
CAS Registry Number 20585-98-2
Comments Less than 3 mono-isotopic peaks
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Formula C16H20Cl2O7
InChI InChI=1S/C16H20Cl2O7/c1-6-10(15(23-4)12(18)13(20)11(6)17)16(21)25-14-7(2)24-9(22-3)5-8(14)19/h7-9,14,19-20H,5H2,1-4H3/t7-,8-,9-,14-/m1/s1
InChIKey QGVGOCYDLCAEEN-UZVNTWEBSA-N
Molecular Weight 395.235 g/mol
SMILES O[C@]1([C@](OC(c2c(c(c(c(c2OC)Cl)O)Cl)C)=O)([C@](O[C@](C1)(OC)[H])(C)[H])[H])[H]
SPLASH splash10-0005-0009000000-9604bc3efa1d09534918
Source of Spectrum F-43-4138-2
Wiley ID 1366454