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

*Links on SpectraBase are not permalinks.
thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-6-(phenylmethyl)-, ethyl
SpectraBase Compound ID EQEFCymxfGh
InChI InChI=1S/C27H28N6O4S2/c1-3-37-26(35)24-21-13-14-32(15-18-7-5-4-6-8-18)16-22(21)39-25(24)28-23(34)17-38-27-29-30-31-33(27)19-9-11-20(36-2)12-10-19/h4-12H,3,13-17H2,1-2H3,(H,28,34)
InChIKey OFAKWTNNDBRSJX-UHFFFAOYSA-N
Mol Weight 564.68 g/mol
Molecular Formula C27H28N6O4S2
Exact Mass 564.161346 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 E5Y2gK0zS4J
Name thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[[[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio]acetyl]amino]-6-(phenylmethyl)-, ethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.161345750 u
Formula C27H28N6O4S2
InChI InChI=1S/C27H28N6O4S2/c1-3-37-26(35)24-21-13-14-32(15-18-7-5-4-6-8-18)16-22(21)39-25(24)28-23(34)17-38-27-29-30-31-33(27)19-9-11-20(36-2)12-10-19/h4-12H,3,13-17H2,1-2H3,(H,28,34)
InChIKey OFAKWTNNDBRSJX-UHFFFAOYSA-N
Molecular Weight 564.679 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17736
Solvent DMSO-d6
Source Vendor ID: NMR/10320423; Lab Info: SAD; Lab Number: SAD-dast035