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3-({[3-(ethoxycarbonyl)-5-phenyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID L6JacNdzvAH
InChI InChI=1S/C21H21NO6S/c1-2-27-21(26)12-10-15(11-6-4-3-5-7-11)29-19(12)22-18(23)16-13-8-9-14(28-13)17(16)20(24)25/h3-7,10,13-14,16-17H,2,8-9H2,1H3,(H,22,23)(H,24,25)/t13-,14+,16+,17+/m0/s1
InChIKey CULPHZBOVMVYRW-XOSAIJSUSA-N
Mol Weight 415.46 g/mol
Molecular Formula C21H21NO6S
Exact Mass 415.108959 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FXbAPhRwgCt
Name 3-({[3-(ethoxycarbonyl)-5-phenyl-2-thienyl]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/C21H21NO6S/c1-2-27-21(26)12-10-15(11-6-4-3-5-7-11)29-19(12)22-18(23)16-13-8-9-14(28-13)17(16)20(24)25/h3-7,10,13-14,16-17H,2,8-9H2,1H3,(H,22,23)(H,24,25)/t13-,14+,16+,17+/m0/s1
InChIKey CULPHZBOVMVYRW-XOSAIJSUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20038
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/9161514; Labnumber: U_AM_ACK/025984; UZI_ID: UZI-020046
Temperature 318 °C