Scopoletin β-D-glucopyranoside, TFA

Formula: C₂₄H₁₄F₁₂O₁₃
Molecular weight: 738.3410
IUPAC Standard InChI: InChI=1S/C24H14F12O13/c1-42-9-4-7-2-3-12(37)44-8(7)5-10(9)45-16-15(49-20(41)24(34,35)36)14(48-19(40)23(31,32)33)13(47-18(39)22(28,29)30)11(46-16)6-43-17(38)21(25,26)27/h2-5,11,13-16H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
IUPAC Standard InChIKey: LCASGYIODNQINV-YMILTQATSA-N
Chemical structure:
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	2510.	Morales, Duque, et al., 2000	25. m/0.25 mm/1. μm, He, 3. K/min, 280. C @ 10. min; T_start: 125. C

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Morales, Duque, et al., 2000
Morales, A.L.; Duque, C.; Bautista, E., Identification of free and glycosidically bound volatiles and glycosides by capillary GC and capillary GC-MS in Lulo del Chocó (Solanum topiro), J. Hi. Res. Chromatogr., 2000, 23, 5, 379-385, https://doi.org/10.1002/(SICI)1521-4168(20000501)23:5<379::AID-JHRC379>3.0.CO;2-B . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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