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D-arabino-hexasulose, diazine with 3-methyl-2-benzothiazolinone, tetraacetate
SpectraBase Compound ID BJyoQEC2RhO
InChI InChI=1S/C30H32N6O8S2/c1-17(37)41-16-24(42-18(2)38)28(44-20(4)40)27(43-19(3)39)21(32-34-30-36(6)23-12-8-10-14-26(23)46-30)15-31-33-29-35(5)22-11-7-9-13-25(22)45-29/h7-15,24,27-28H,16H2,1-6H3/t24-,27-,28-/m1/s1
InChIKey WENSKWCDZZLIGT-RYRVMRHHSA-N
Mol Weight 668.7 g/mol
Molecular Formula C30H32N6O8S2
Exact Mass 668.172304 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LbYhtYRwQL7
Name D-arabino-HEXOSULOSE, DIAZINE WITH 3-METHYL-2-BENZOTHIAZOLINONE, TETRAACETATE, alpha-FORM
Source of Sample G. Henseke, Bergakademie, Freiberg, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32N6O8S2
InChI InChI=1S/C30H32N6O8S2/c1-17(37)41-16-24(42-18(2)38)28(44-20(4)40)27(43-19(3)39)21(32-34-30-36(6)23-12-8-10-14-26(23)46-30)15-31-33-29-35(5)22-11-7-9-13-25(22)45-29/h7-15,24,27-28H,16H2,1-6H3/t24-,27-,28-/m1/s1
InChIKey WENSKWCDZZLIGT-RYRVMRHHSA-N
Melting Point 184C
Molecular Weight 668.739990
Synonyms HEXOSULOSE, D-ARABINO-, DIAZINE WITH 3-METHYL-2-BENZOTHIAZOLINONE, TETRAACETATE /ISOMER MP184/
Technique KBr WAFER