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2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-1H-tetraazol-1-yl]benzoate
SpectraBase Compound ID R1CpDqe9WR
InChI InChI=1S/C12H12N4O4S/c1-19-10(17)7-20-11(18)8-3-5-9(6-4-8)16-12(21-2)13-14-15-16/h3-6H,7H2,1-2H3
InChIKey PZSFVUHKNFAVQY-UHFFFAOYSA-N
Mol Weight 308.31 g/mol
Molecular Formula C12H12N4O4S
Exact Mass 308.057926 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IKvvkLxJD8m
Name 2-methoxy-2-oxoethyl 4-[5-(methylsulfanyl)-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/C12H12N4O4S/c1-19-10(17)7-20-11(18)8-3-5-9(6-4-8)16-12(21-2)13-14-15-16/h3-6H,7H2,1-2H3
InChIKey PZSFVUHKNFAVQY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22111
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: D58645; Labnumber: SPLUK-0996; SBI_ID: SBI-022115
Temperature 308 °C