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

*Links on SpectraBase are not permalinks.
N-(5-Methyl-3-isoxazolyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID LLQgvvt5NPJ
InChI InChI=1S/C9H11N5O2S/c1-6-3-7(13-16-6)11-8(15)4-17-9-12-10-5-14(9)2/h3,5H,4H2,1-2H3,(H,11,13,15)
InChIKey GZGBDUWWUDJDEJ-UHFFFAOYSA-N
Mol Weight 253.28 g/mol
Molecular Formula C9H11N5O2S
Exact Mass 253.063346 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 DeUuwxQ6clC
Name acetamide, N-(5-methyl-3-isoxazolyl)-2-[(4-methyl-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 253.063345786 u
Formula C9H11N5O2S
InChI InChI=1S/C9H11N5O2S/c1-6-3-7(13-16-6)11-8(15)4-17-9-12-10-5-14(9)2/h3,5H,4H2,1-2H3,(H,11,13,15)
InChIKey GZGBDUWWUDJDEJ-UHFFFAOYSA-N
Molecular Weight 253.280 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5570
Solvent DMSO-d6
Source Vendor ID: NMR/9322168; Lab Info: PNA; Lab Number: PNA-NA00899
Temperature 29.85 °C