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isopropyl 4-[({[1-(4-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID H58JKksR4g2
InChI InChI=1S/C19H18ClN5O3S/c1-12(2)28-18(27)13-3-7-15(8-4-13)21-17(26)11-29-19-22-23-24-25(19)16-9-5-14(20)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKey RPUXIXAWIKOOJY-UHFFFAOYSA-N
Mol Weight 431.9 g/mol
Molecular Formula C19H18ClN5O3S
Exact Mass 431.081888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CMIaLaKVuZ4
Name isopropyl 4-[({[1-(4-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]benzoate
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/C19H18ClN5O3S/c1-12(2)28-18(27)13-3-7-15(8-4-13)21-17(26)11-29-19-22-23-24-25(19)16-9-5-14(20)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKey RPUXIXAWIKOOJY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6107
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: NMR/11242333; Labnumber: SAD-0002981; IOH_ID: IOH-006108