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(2S)-2-(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 NMR

(2S)-2-(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 1qlf7NSXp35
InChI InChI=1S/C13H12N4O3S/c18-10-6-9(11-7-19-12(10)20-11)17-13(21)16(14-15-17)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2
InChIKey CIFNYXJRKAYSPW-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C13H12N4O3S
Exact Mass 304.063011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DzQ78C79h04
Name (2S)-2-(4-phenyl-5-thioxo-4,5-dihydro-1H-tetrazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
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/C13H12N4O3S/c18-10-6-9(11-7-19-12(10)20-11)17-13(21)16(14-15-17)8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2
InChIKey CIFNYXJRKAYSPW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1055
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/8275319; IOH_ID: IOH-001056
Temperature 303 °C