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BENZALDEHYDE, 4-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-3-THIOSEMICARBAZONE, TETRAACETATE
SpectraBase Compound ID 4Jb4XwypCrY
InChI InChI=1S/C28H31N3O9S2/c1-16(32)36-15-22-24(37-17(2)33)25(38-18(3)34)26(39-19(4)35)27(40-22)42-23-13-9-8-12-21(23)30-28(41)31-29-14-20-10-6-5-7-11-20/h5-14,22,24-27H,15H2,1-4H3,(H2,30,31,41)/t22-,24-,25+,26-,27+/m1/s1
InChIKey XSXSEHFMINRUHR-INFWBLCHSA-N
Mol Weight 617.69 g/mol
Molecular Formula C28H31N3O9S2
Exact Mass 617.150172 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2DFwbVNObT8
Name BENZALDEHYDE, 4-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-3-THIOSEMICARBAZONE, TETRAACETATE
Source of Sample G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O9S2
InChI InChI=1S/C28H31N3O9S2/c1-16(32)36-15-22-24(37-17(2)33)25(38-18(3)34)26(39-19(4)35)27(40-22)42-23-13-9-8-12-21(23)30-28(41)31-29-14-20-10-6-5-7-11-20/h5-14,22,24-27H,15H2,1-4H3,(H2,30,31,41)/t22-,24-,25+,26-,27+/m1/s1
InChIKey XSXSEHFMINRUHR-INFWBLCHSA-N
Literature Reference Abstract-Chemical Abstracts= 60, 4239(1964)
Melting Point 177-180C
Molecular Weight 617.687988
Optical Properties Optical Rotation= (20C) 4.2 DEG (c=4.0, CHLOROFORM)
Synonyms BENZALDEHYDE, 4-/O-/B-D-GLUCOSYL- THIO/PHENYL/-3-THIOSEMICARBAZONE, TETRAACETATE, /PLUS/-, BENZALDEHYDE, 4-/O-/B-D-GLUCOPYRAN- OSYLTHIO/PHENYL/-3-THIOSEMICARBAZONE, TETRAACETATE, /PLUS/-, GLUCOPYRANOSIDE, /O-/3-/BENZYL- IDENEAMINO/-2-THIOUREIDO/PHENYL/ 1- THIO-, TETRAACETATE, B-D-/PLUS/-,
Technique KBr WAFER