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3-bromobenzyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetraazol-1-yl}benzoate
SpectraBase Compound ID Iemoy9ApZMW
InChI InChI=1S/C19H17BrN4O4S/c1-2-27-17(25)12-29-19-21-22-23-24(19)16-8-6-14(7-9-16)18(26)28-11-13-4-3-5-15(20)10-13/h3-10H,2,11-12H2,1H3
InChIKey IKWOPGQLOJKUET-UHFFFAOYSA-N
Mol Weight 477.33 g/mol
Molecular Formula C19H17BrN4O4S
Exact Mass 476.015389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JIY62a9BggP
Name 3-bromobenzyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1H-tetraazol-1-yl}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/C19H17BrN4O4S/c1-2-27-17(25)12-29-19-21-22-23-24(19)16-8-6-14(7-9-16)18(26)28-11-13-4-3-5-15(20)10-13/h3-10H,2,11-12H2,1H3
InChIKey IKWOPGQLOJKUET-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2818
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: D04870; Labnumber: MVERET-0906; SBI_ID: SBI-002820
Temperature 318 °C