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3-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID 82qnibCFZ21
InChI InChI=1S/C12H13N3O4S/c1-2-7-14-15-12(20-7)13-10(16)8-5-3-4-6(19-5)9(8)11(17)18/h3-6,8-9H,2H2,1H3,(H,17,18)(H,13,15,16)/t5-,6+,8+,9+/m0/s1
InChIKey JIMSLFNYBGDRMJ-HIORRCEOSA-N
Mol Weight 295.31 g/mol
Molecular Formula C12H13N3O4S
Exact Mass 295.062677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ey85ZFp80HU
Name 3-{[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13N3O4S/c1-2-7-14-15-12(20-7)13-10(16)8-5-3-4-6(19-5)9(8)11(17)18/h3-6,8-9H,2H2,1H3,(H,17,18)(H,13,15,16)/t5-,6+,8+,9+/m0/s1
InChIKey JIMSLFNYBGDRMJ-HIORRCEOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2406
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/9330600; Labnumber: AM-AC/0204035; UZI_ID: UZI-002408
Temperature 306 °C