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

*Links on SpectraBase are not permalinks.
2-{[5,6-bis(4-isopropylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-methyl-3-isoxazolyl)acetamide
SpectraBase Compound ID JjhkOMQclag
InChI InChI=1S/C27H29N5O2S/c1-16(2)19-6-10-21(11-7-19)25-26(22-12-8-20(9-13-22)17(3)4)30-31-27(29-25)35-15-24(33)28-23-14-18(5)34-32-23/h6-14,16-17H,15H2,1-5H3,(H,28,32,33)
InChIKey MIEHUEOPHUHQMY-UHFFFAOYSA-N
Mol Weight 487.62 g/mol
Molecular Formula C27H29N5O2S
Exact Mass 487.204196 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 GX3gbK5IlTd
Name 2-{[5,6-bis(4-isopropylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(5-methyl-3-isoxazolyl)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/C27H29N5O2S/c1-16(2)19-6-10-21(11-7-19)25-26(22-12-8-20(9-13-22)17(3)4)30-31-27(29-25)35-15-24(33)28-23-14-18(5)34-32-23/h6-14,16-17H,15H2,1-5H3,(H,28,32,33)
InChIKey MIEHUEOPHUHQMY-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22175
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: D58751; Labnumber: LGV-2138; SBI_ID: SBI-022179
Temperature 315 °C