For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-furanyl)-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID ItcHIC2zceC
InChI InChI=1S/C18H14ClF3N4O2S/c1-2-7-26-16(14-4-3-8-28-14)24-25-17(26)29-10-15(27)23-13-9-11(18(20,21)22)5-6-12(13)19/h2-6,8-9H,1,7,10H2,(H,23,27)
InChIKey UNYNJUPYCVHHHQ-UHFFFAOYSA-N
Mol Weight 442.84 g/mol
Molecular Formula C18H14ClF3N4O2S
Exact Mass 442.047809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BSZHFC0VjiL
Name acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[5-(2-furanyl)-4-(2-propenyl)-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 442.047809068 u
Formula C18H14ClF3N4O2S
InChI InChI=1S/C18H14ClF3N4O2S/c1-2-7-26-16(14-4-3-8-28-14)24-25-17(26)29-10-15(27)23-13-9-11(18(20,21)22)5-6-12(13)19/h2-6,8-9H,1,7,10H2,(H,23,27)
InChIKey UNYNJUPYCVHHHQ-UHFFFAOYSA-N
Molecular Weight 442.844 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14906
Solvent DMSO-d6
Source Vendor ID: NMR/10310311; Lab Info: NKS; Lab Number: NKS-0200029