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(1S,2S,3R,4R,5R)-2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR

(1S,2S,3R,4R,5R)-2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl 4-methylbenzenesulfonate
SpectraBase Compound ID 9HRyDuyzOf9
InChI InChI=1S/C21H23NO8S/c1-12-2-5-14(6-3-12)31(24,25)30-20-19(23)18(17-10-26-21(20)29-17)22-9-13-4-7-15-16(8-13)28-11-27-15/h2-8,17-23H,9-11H2,1H3
InChIKey LVQQCZPHBHIXKT-UHFFFAOYSA-N
Mol Weight 449.47 g/mol
Molecular Formula C21H23NO8S
Exact Mass 449.114438 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ZqVWbJuAUQ
Name (1S,2S,3R,4R,5R)-2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl 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/C21H23NO8S/c1-12-2-5-14(6-3-12)31(24,25)30-20-19(23)18(17-10-26-21(20)29-17)22-9-13-4-7-15-16(8-13)28-11-27-15/h2-8,17-23H,9-11H2,1H3
InChIKey LVQQCZPHBHIXKT-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2233
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: S09506MC88-085; Labnumber: S09506MC88-085; VK_ID: VK-002234
Temperature 313 °C