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KHELLININ, DIHYDRATE

View entire compound with spectra: 1 FTIR

KHELLININ, DIHYDRATE
SpectraBase Compound ID 1omXlMQWl2p
InChI InChI=1S/C19H20O10.2H2O/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19;;/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3;2*1H2/t13-,15-,16+,17-,19?;;/m1../s1
InChIKey FODCKWMUEYDSGU-ZPRXUVESSA-N
Mol Weight 444.389 g/mol
Molecular Formula C19H24O12
Exact Mass 444.126776 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DXbScGhfpoB
Name KHELLININ, DIHYDRATE
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O12
InChI InChI=1S/C19H20O10.2H2O/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19;;/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3;2*1H2/t13-,15-,16+,17-,19?;;/m1../s1
InChIKey FODCKWMUEYDSGU-ZPRXUVESSA-N
Melting Point 142-144C
Molecular Weight 444.389008
Optical Properties Optical Rotation= D -33 DEG (PYRIDINE)
Synonyms KHELLININ, DIHYDRATE 5H-FURO/3,2-G//1/BENZOPYRAN-5-ONE, 7-///D-GLUCOPYRANOSYL/OXY/METHYL/-4- METHOXY-, DIHYDRATE
Technique KBr WAFER