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

*Links on SpectraBase are not permalinks.

2-{[1-(4-ethoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}-1-phenylethanone

View entire compound with spectra: 2 NMR

2-{[1-(4-ethoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}-1-phenylethanone
SpectraBase Compound ID 5tXkC5WWVGa
InChI InChI=1S/C17H16N4O2S/c1-2-23-15-10-8-14(9-11-15)21-17(18-19-20-21)24-12-16(22)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey IQWRKEWHQDQHNH-UHFFFAOYSA-N
Mol Weight 340.4 g/mol
Molecular Formula C17H16N4O2S
Exact Mass 340.099397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7Y2har3zRGx
Name 2-{[1-(4-Ethoxyphenyl)-1H-tetraazol-5-yl]sulfanyl}-1-phenylethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.099396943 u
Formula C17H16N4O2S
InChI InChI=1S/C17H16N4O2S/c1-2-23-15-10-8-14(9-11-15)21-17(18-19-20-21)24-12-16(22)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKey IQWRKEWHQDQHNH-UHFFFAOYSA-N
Molecular Weight 340.401 g/mol
SMILES C=1C=CC(C(CSC=2N(N=NN2)C=2C=CC(=CC2)OCC)=O)=CC1