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acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 7lZZAKG9msP
InChI InChI=1S/C18H15ClFN5OS/c1-2-8-25-17(12-4-3-7-21-10-12)23-24-18(25)27-11-16(26)22-13-5-6-15(20)14(19)9-13/h2-7,9-10H,1,8,11H2,(H,22,26)
InChIKey RZNZSBWPPGYPJM-UHFFFAOYSA-N
Mol Weight 403.86 g/mol
Molecular Formula C18H15ClFN5OS
Exact Mass 403.066987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EToVvLf0zbt
Name acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-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 403.066987159 u
Formula C18H15ClFN5OS
InChI InChI=1S/C18H15ClFN5OS/c1-2-8-25-17(12-4-3-7-21-10-12)23-24-18(25)27-11-16(26)22-13-5-6-15(20)14(19)9-13/h2-7,9-10H,1,8,11H2,(H,22,26)
InChIKey RZNZSBWPPGYPJM-UHFFFAOYSA-N
Molecular Weight 403.863 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17543
Solvent DMSO-d6
Source Vendor ID: NMR/11210009; Lab Info: SAD; Lab Number: 19