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3-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID s8G1sepcQF
InChI InChI=1S/C16H16N2O5S/c1-22-7-2-3-8-11(6-7)24-16(17-8)18-14(19)12-9-4-5-10(23-9)13(12)15(20)21/h2-3,6,9-10,12-13H,4-5H2,1H3,(H,20,21)(H,17,18,19)/t9-,10+,12+,13+/m0/s1
InChIKey LJRGRMKNMMZKEU-XKAARJIMSA-N
Mol Weight 348.37 g/mol
Molecular Formula C16H16N2O5S
Exact Mass 348.077993 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ABFUpauyAWe
Name 3-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbonyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
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/C16H16N2O5S/c1-22-7-2-3-8-11(6-7)24-16(17-8)18-14(19)12-9-4-5-10(23-9)13(12)15(20)21/h2-3,6,9-10,12-13H,4-5H2,1H3,(H,20,21)(H,17,18,19)/t9-,10+,12+,13+/m0/s1
InChIKey LJRGRMKNMMZKEU-XKAARJIMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19184
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: UZI/9137082; UBI_ID: UBI-019187
Temperature 318 °C