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3-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanenitrile
SpectraBase Compound ID DaBrVatlOst
InChI InChI=1S/C13H13N5S/c1-2-8-18-12(11-5-3-7-15-10-11)16-17-13(18)19-9-4-6-14/h2-3,5,7,10H,1,4,8-9H2
InChIKey QUFOYXKPJAHCLJ-UHFFFAOYSA-N
Mol Weight 271.34 g/mol
Molecular Formula C13H13N5S
Exact Mass 271.089167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMweDzNiSp2
Name 3-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanenitrile
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 271.089166613 u
Formula C13H13N5S
InChI InChI=1S/C13H13N5S/c1-2-8-18-12(11-5-3-7-15-10-11)16-17-13(18)19-9-4-6-14/h2-3,5,7,10H,1,4,8-9H2
InChIKey QUFOYXKPJAHCLJ-UHFFFAOYSA-N
Molecular Weight 271.342 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1236
Solvent DMSO-d6
Source Vendor ID: NMR/12269393