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1-(3-chlorophenyl)-4-[(4Z)-4-[(2-sulfanylidenepropyl)imino]-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione

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1-(3-chlorophenyl)-4-[(4Z)-4-[(2-sulfanylidenepropyl)imino]-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
SpectraBase Compound ID Ed7SBubEccl
InChI InChI=1S/C14H14ClN7O2S2/c15-7-2-1-3-8(4-7)21-14(26)22(20-19-21)10-5-9(17-18-13(16)25)12-23-6-11(10)24-12/h1-4,10-12H,5-6H2,(H3,16,18,25)/b17-9-
InChIKey CVYJFYQUCKADBU-MFOYZWKCSA-N
Mol Weight 411.89 g/mol
Molecular Formula C14H14ClN7O2S2
Exact Mass 411.033893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyM7JLWwWFB
Name 1-(3-chlorophenyl)-4-[(4Z)-4-[(2-sulfanylidenepropyl)imino]-6,8-dioxabicyclo[3.2.1]octan-2-yl]-4,5-dihydro-1H-1,2,3,4-tetrazole-5-thione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.033892765 u
Formula C14H14ClN7O2S2
InChI InChI=1S/C14H14ClN7O2S2/c15-7-2-1-3-8(4-7)21-14(26)22(20-19-21)10-5-9(17-18-13(16)25)12-23-6-11(10)24-12/h1-4,10-12H,5-6H2,(H3,16,18,25)/b17-9-
InChIKey CVYJFYQUCKADBU-MFOYZWKCSA-N
Molecular Weight 411.886 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8237
Solvent DMSO-d6
Source Vendor ID: NMR/13300393; Lab Info: SAD; Lab Number: 004