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4-Allyl-3-(6-chloro-benzo[1,3]dioxol-5-ylmethylsulfanyl)-5-furan-2-yl-4H-[1,2,4]triazole
SpectraBase Compound ID 7hACHmjmcka
InChI InChI=1S/C17H14ClN3O3S/c1-2-5-21-16(13-4-3-6-22-13)19-20-17(21)25-9-11-7-14-15(8-12(11)18)24-10-23-14/h2-4,6-8H,1,5,9-10H2
InChIKey MXOOVMJYPXCASI-UHFFFAOYSA-N
Mol Weight 375.83 g/mol
Molecular Formula C17H14ClN3O3S
Exact Mass 375.04444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CZOkwIuYB8q
Name 4H-1,2,4-triazole, 3-[[(6-chloro-1,3-benzodioxol-5-yl)methyl]thio]-5-(2-furanyl)-4-(2-propenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.044440194 u
Formula C17H14ClN3O3S
InChI InChI=1S/C17H14ClN3O3S/c1-2-5-21-16(13-4-3-6-22-13)19-20-17(21)25-9-11-7-14-15(8-12(11)18)24-10-23-14/h2-4,6-8H,1,5,9-10H2
InChIKey MXOOVMJYPXCASI-UHFFFAOYSA-N
Molecular Weight 375.830 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6097
Solvent DMSO-d6
Source Vendor ID: NMR/10310673; Lab Info: SAD; Lab Number: 103