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3-({[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 1xRJKQCaWg5
InChI InChI=1S/C24H27NO6S/c1-24(2,3)13-7-5-12(6-8-13)14-11-32-21(17(14)23(29)30-4)25-20(26)18-15-9-10-16(31-15)19(18)22(27)28/h5-8,11,15-16,18-19H,9-10H2,1-4H3,(H,25,26)(H,27,28)/t15-,16+,18+,19+/m0/s1
InChIKey IYXYYOXLKGNVGP-QFHJOOASSA-N
Mol Weight 457.54 g/mol
Molecular Formula C24H27NO6S
Exact Mass 457.155909 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ALtQBafWcB
Name 3-({[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)-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/C24H27NO6S/c1-24(2,3)13-7-5-12(6-8-13)14-11-32-21(17(14)23(29)30-4)25-20(26)18-15-9-10-16(31-15)19(18)22(27)28/h5-8,11,15-16,18-19H,9-10H2,1-4H3,(H,25,26)(H,27,28)/t15-,16+,18+,19+/m0/s1
InChIKey IYXYYOXLKGNVGP-QFHJOOASSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20147
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/9135720; Labnumber: U_AM_ACK/029680; UZI_ID: UZI-020155
Temperature 318 °C