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

*Links on SpectraBase are not permalinks.
3-{(4Z)-4-[4-(allyloxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}propanenitrile
SpectraBase Compound ID 9L6Chm2kK40
InChI InChI=1S/C18H18IN3O3/c1-4-8-25-17-15(19)10-13(11-16(17)24-3)9-14-12(2)21-22(18(14)23)7-5-6-20/h4,9-11H,1,5,7-8H2,2-3H3/b14-9-
InChIKey CKSDWCYKRHSSPX-ZROIWOOFSA-N
Mol Weight 451.26 g/mol
Molecular Formula C18H18IN3O3
Exact Mass 451.039286 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 IaRSvOqRSce
Name 3-{(4Z)-4-[4-(allyloxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}propanenitrile
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/C18H18IN3O3/c1-4-8-25-17-15(19)10-13(11-16(17)24-3)9-14-12(2)21-22(18(14)23)7-5-6-20/h4,9-11H,1,5,7-8H2,2-3H3/b14-9-
InChIKey CKSDWCYKRHSSPX-ZROIWOOFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20122
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: UZI/9158218; UBI_ID: UBI-020126
Synonyms 3-{4-[4-(allyloxy)-3-iodo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}propanenitrile
Temperature 308 °C