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3-({[3-(methoxycarbonyl)-4-(3-methylphenyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID JSmJhgCtwHg
InChI InChI=1S/C22H23NO5S/c1-11-4-3-5-12(8-11)15-10-29-20(18(15)22(27)28-2)23-19(24)16-13-6-7-14(9-13)17(16)21(25)26/h3-5,8,10,13-14,16-17H,6-7,9H2,1-2H3,(H,23,24)(H,25,26)/t13-,14+,16-,17-/m1/s1
InChIKey NRWINUOHRGCJTO-YALNPMBYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bbqb0h1h19b
Name 3-({[3-(methoxycarbonyl)-4-(3-methylphenyl)-2-thienyl]amino}carbonyl)bicyclo[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/C22H23NO5S/c1-11-4-3-5-12(8-11)15-10-29-20(18(15)22(27)28-2)23-19(24)16-13-6-7-14(9-13)17(16)21(25)26/h3-5,8,10,13-14,16-17H,6-7,9H2,1-2H3,(H,23,24)(H,25,26)/t13-,14+,16-,17-/m1/s1
InChIKey NRWINUOHRGCJTO-YALNPMBYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20061
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/9162918; Labnumber: U_AM_ACK/026599; UZI_ID: UZI-020069
Temperature 318 °C