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

*Links on SpectraBase are not permalinks.
2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 8yQlknLy0ON
InChI InChI=1S/C21H18ClF3N4O2S/c1-3-9-29-19(13-5-4-6-15(10-13)31-2)27-28-20(29)32-12-18(30)26-17-11-14(21(23,24)25)7-8-16(17)22/h3-8,10-11H,1,9,12H2,2H3,(H,26,30)
InChIKey CHSWFRASEIOECO-UHFFFAOYSA-N
Mol Weight 482.91 g/mol
Molecular Formula C21H18ClF3N4O2S
Exact Mass 482.079109 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 CsbIo4bIBN4
Name 2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18ClF3N4O2S/c1-3-9-29-19(13-5-4-6-15(10-13)31-2)27-28-20(29)32-12-18(30)26-17-11-14(21(23,24)25)7-8-16(17)22/h3-8,10-11H,1,9,12H2,2H3,(H,26,30)
InChIKey CHSWFRASEIOECO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11401
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E06933; Labnumber: GRES-32015; SBI_ID: SBI-011404
Temperature 318 °C