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

*Links on SpectraBase are not permalinks.
acetic acid, [[5-(1-methylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-
SpectraBase Compound ID 4kWzNvneyJY
InChI InChI=1S/C14H14N4O2S/c1-8(2)18-10-6-4-3-5-9(10)12-13(18)15-14(17-16-12)21-7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)
InChIKey NKWYUHBVOXKCIL-UHFFFAOYSA-N
Mol Weight 302.35 g/mol
Molecular Formula C14H14N4O2S
Exact Mass 302.083747 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 1OR7ZXouv2a
Name acetic acid, [[5-(1-methylethyl)-5H-[1,2,4]triazino[5,6-b]indol-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 302.083746879 u
Formula C14H14N4O2S
InChI InChI=1S/C14H14N4O2S/c1-8(2)18-10-6-4-3-5-9(10)12-13(18)15-14(17-16-12)21-7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)
InChIKey NKWYUHBVOXKCIL-UHFFFAOYSA-N
Molecular Weight 302.352 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15227
Solvent DMSO-d6
Source Vendor ID: NMR/11210619; Lab Info: SAD; Lab Number: SAD-cor0001