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ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(4-bromophenyl)-3-thiophenecarboxylate
SpectraBase Compound ID 52uTht6ah5j
InChI InChI=1S/C21H16BrNO5S/c1-2-26-21(25)18-15(12-3-6-14(22)7-4-12)10-29-20(18)23-19(24)13-5-8-16-17(9-13)28-11-27-16/h3-10H,2,11H2,1H3,(H,23,24)
InChIKey QWIWSDPBSVYWNM-UHFFFAOYSA-N
Mol Weight 474.33 g/mol
Molecular Formula C21H16BrNO5S
Exact Mass 472.993257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3ajQ4US6yQ
Name ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(4-bromophenyl)-3-thiophenecarboxylate
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/C21H16BrNO5S/c1-2-26-21(25)18-15(12-3-6-14(22)7-4-12)10-29-20(18)23-19(24)13-5-8-16-17(9-13)28-11-27-16/h3-10H,2,11H2,1H3,(H,23,24)
InChIKey QWIWSDPBSVYWNM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20195
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/9136715; Labnumber: U_AM_ACK/031230; UZI_ID: UZI-020203
Temperature 318 °C