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

*Links on SpectraBase are not permalinks.

(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile

View entire compound with spectra: 1 NMR

(2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
SpectraBase Compound ID 4Sx8J4mmJ6y
InChI InChI=1S/C20H13N3O6S/c1-27-18-6-11(5-15(19(18)24)23(25)26)4-13(8-21)20-22-14(9-30-20)12-2-3-16-17(7-12)29-10-28-16/h2-7,9,24H,10H2,1H3/b13-4+
InChIKey SJMNJQUTGGORRS-YIXHJXPBSA-N
Mol Weight 423.4 g/mol
Molecular Formula C20H13N3O6S
Exact Mass 423.052506 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 KVIH0lvMhVS
Name (2E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
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/C20H13N3O6S/c1-27-18-6-11(5-15(19(18)24)23(25)26)4-13(8-21)20-22-14(9-30-20)12-2-3-16-17(7-12)29-10-28-16/h2-7,9,24H,10H2,1H3/b13-4+
InChIKey SJMNJQUTGGORRS-YIXHJXPBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1979
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: C99553; Labnumber: ULGA8-0776; SBI_ID: SBI-001981
Synonyms 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile
Temperature 318 °C