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

*Links on SpectraBase are not permalinks.
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 6u0bOj0Pogb
InChI InChI=1S/C20H19ClN4O3S/c1-2-25-19(13-3-5-14(21)6-4-13)23-24-20(25)29-12-18(26)22-15-7-8-16-17(11-15)28-10-9-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,22,26)
InChIKey NGXVITDIIYMNMK-UHFFFAOYSA-N
Mol Weight 430.91 g/mol
Molecular Formula C20H19ClN4O3S
Exact Mass 430.086639 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 GMVsbDdvMBK
Name 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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/C20H19ClN4O3S/c1-2-25-19(13-3-5-14(21)6-4-13)23-24-20(25)29-12-18(26)22-15-7-8-16-17(11-15)28-10-9-27-16/h3-8,11H,2,9-10,12H2,1H3,(H,22,26)
InChIKey NGXVITDIIYMNMK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11713
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: E08638; Labnumber: GRES-37297; SBI_ID: SBI-011716
Temperature 308 °C