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methyl 4-{5-[(2-bromobenzyl)sulfanyl]-1H-tetraazol-1-yl}benzoate
SpectraBase Compound ID AxZxkZuyIF7
InChI InChI=1S/C16H13BrN4O2S/c1-23-15(22)11-6-8-13(9-7-11)21-16(18-19-20-21)24-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3
InChIKey KKZRBRWETMVSBU-UHFFFAOYSA-N
Mol Weight 405.27 g/mol
Molecular Formula C16H13BrN4O2S
Exact Mass 403.99426 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JEq6SXfgeOp
Name methyl 4-{5-[(2-bromobenzyl)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/C16H13BrN4O2S/c1-23-15(22)11-6-8-13(9-7-11)21-16(18-19-20-21)24-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3
InChIKey KKZRBRWETMVSBU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22135
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: D58672; Labnumber: SPLUK-1037; SBI_ID: SBI-022139
Temperature 315 °C