SpectraBase Spectrum ID |
CLSGJyG2jl8 |
Name |
2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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/C21H23N5O2S/c1-3-13-26-19(14-22-16-7-5-4-6-8-16)24-25-21(26)29-15-20(27)23-17-9-11-18(28-2)12-10-17/h3-12,22H,1,13-15H2,2H3,(H,23,27) |
InChIKey |
JWNJPLOAHTVNPH-UHFFFAOYSA-N |
NMR Offset |
15.3537 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Origin |
1H_UBI_21270_4399 |
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: UZI/8119226; UBI_ID: UBI-004400 |
Temperature |
308 °C |