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Sucrose benzoate

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 MS (GC)

Sucrose benzoate
SpectraBase Compound ID 14cBmMvTQQ4
InChI InChI=1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56+,57-,58+,67-,68+/m1/s1
InChIKey AKIVKIDZMLQJCH-KWOGCLBWSA-N
Mol Weight 1175.2 g/mol
Molecular Formula C68H54O19
Exact Mass 1174.325929 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8UXrGNnEDMU
Name Sucrose benzoate
Source of Sample Aldrich
Catalog Number 458333
CAS Registry Number 12738-64-6
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C68H54O19
InChI InChI=1S/C68H54O19/c69-59(44-25-9-1-10-26-44)77-41-52-54(81-62(72)47-31-15-4-16-32-47)56(83-64(74)49-35-19-6-20-36-49)57(84-65(75)50-37-21-7-22-38-50)67(80-52)87-68(43-79-61(71)46-29-13-3-14-30-46)58(85-66(76)51-39-23-8-24-40-51)55(82-63(73)48-33-17-5-18-34-48)53(86-68)42-78-60(70)45-27-11-2-12-28-45/h1-40,52-58,67H,41-43H2/t52-,53-,54-,55-,56+,57-,58+,67-,68+/m1/s1
InChIKey AKIVKIDZMLQJCH-KWOGCLBWSA-N
Synonyms 1-O,3-O,4-O,6-O-Tetrabenzoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside tetrabenzoate alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-benzoyl-beta-D-fructofuranosyl, tetrabenzoate
Wiley ID SIAL_ATR-IR_040151