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hexopyranoside, methyl, 2,3-dibenzoate 4,6-bis(4-methylbenzenesulfonate)

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hexopyranoside, methyl, 2,3-dibenzoate 4,6-bis(4-methylbenzenesulfonate)
SpectraBase Compound ID 3586oIh49u5
InChI InChI=1S/C35H34O12S2/c1-23-14-18-27(19-15-23)48(38,39)43-22-29-30(47-49(40,41)28-20-16-24(2)17-21-28)31(45-33(36)25-10-6-4-7-11-25)32(35(42-3)44-29)46-34(37)26-12-8-5-9-13-26/h4-21,29-32,35H,22H2,1-3H3/t29-,30-,31+,32-,35-/m1/s1
InChIKey JKWZSXRZVBWPNR-ULUMMAHWSA-N
Mol Weight 710.8 g/mol
Molecular Formula C35H34O12S2
Exact Mass 710.149169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9BCzSe8Fx38
Name hexopyranoside, methyl, 2,3-dibenzoate 4,6-bis(4-methylbenzenesulfonate)
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C35H34O12S2/c1-23-14-18-27(19-15-23)48(38,39)43-22-29-30(47-49(40,41)28-20-16-24(2)17-21-28)31(45-33(36)25-10-6-4-7-11-25)32(35(42-3)44-29)46-34(37)26-12-8-5-9-13-26/h4-21,29-32,35H,22H2,1-3H3/t29-,30-,31+,32-,35-/m1/s1
InChIKey JKWZSXRZVBWPNR-ULUMMAHWSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7516
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZERO/001464; IOH_ID: IOH-014520
Temperature 297 °C