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4-([1-(3-Chlorophenyl)-1H-tetraazol-5-yl]sulfanyl)butanenitrile
SpectraBase Compound ID ALUYNbt3vur
InChI InChI=1S/C11H10ClN5S/c12-9-4-3-5-10(8-9)17-11(14-15-16-17)18-7-2-1-6-13/h3-5,8H,1-2,7H2
InChIKey ZILUYGXUDZKKQF-UHFFFAOYSA-N
Mol Weight 279.75 g/mol
Molecular Formula C11H10ClN5S
Exact Mass 279.034544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2yKSvJKq3nT
Name butanenitrile, 4-[[1-(3-chlorophenyl)-1H-tetrazol-5-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.034544216 u
Formula C11H10ClN5S
InChI InChI=1S/C11H10ClN5S/c12-9-4-3-5-10(8-9)17-11(14-15-16-17)18-7-2-1-6-13/h3-5,8H,1-2,7H2
InChIKey ZILUYGXUDZKKQF-UHFFFAOYSA-N
Molecular Weight 279.749 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10244
Solvent DMSO-d6
Source Vendor ID: NMR/10241576; Lab Info: SAD; Lab Number: 1890
Temperature 23.85 °C