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3-({[4-(2-chlorophenyl)-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID B3yXakn1All
InChI InChI=1S/C21H20ClNO5S/c1-28-21(27)17-13(12-4-2-3-5-14(12)22)9-29-19(17)23-18(24)15-10-6-7-11(8-10)16(15)20(25)26/h2-5,9-11,15-16H,6-8H2,1H3,(H,23,24)(H,25,26)/t10-,11+,15-,16-/m1/s1
InChIKey UEOIPQHQHZSPQF-OXUXUCFPSA-N
Mol Weight 433.91 g/mol
Molecular Formula C21H20ClNO5S
Exact Mass 433.075072 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JNPfdy6LRlD
Name 3-({[4-(2-chlorophenyl)-3-(methoxycarbonyl)-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/C21H20ClNO5S/c1-28-21(27)17-13(12-4-2-3-5-14(12)22)9-29-19(17)23-18(24)15-10-6-7-11(8-10)16(15)20(25)26/h2-5,9-11,15-16H,6-8H2,1H3,(H,23,24)(H,25,26)/t10-,11+,15-,16-/m1/s1
InChIKey UEOIPQHQHZSPQF-OXUXUCFPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11377
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/9090065; UBI_ID: UBI-011380
Temperature 318 °C