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

*Links on SpectraBase are not permalinks.
(2E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-propenenitrile
SpectraBase Compound ID KXdJITNhcgs
InChI InChI=1S/C21H24N4S/c1-13-18(11-25(2)24-13)6-17(10-22)20-23-19(12-26-20)21-7-14-3-15(8-21)5-16(4-14)9-21/h6,11-12,14-16H,3-5,7-9H2,1-2H3/b17-6+/t14-,15+,16-,21-
InChIKey WMLKNIFLXSMSNV-ZJQAYACRSA-N
Mol Weight 364.51 g/mol
Molecular Formula C21H24N4S
Exact Mass 364.172168 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 KpeoO9FS5CV
Name (2E)-2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1,3-dimethyl-1H-pyrazol-4-yl)-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/C21H24N4S/c1-13-18(11-25(2)24-13)6-17(10-22)20-23-19(12-26-20)21-7-14-3-15(8-21)5-16(4-14)9-21/h6,11-12,14-16H,3-5,7-9H2,1-2H3/b17-6+/t14-,15+,16-,21-
InChIKey WMLKNIFLXSMSNV-ZJQAYACRSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33233
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: 1912260; SBI_ID: SBI-033237
Synonyms 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(1,3-dimethyl-1H-pyrazol-4-yl)-2-propenenitrile
Temperature 306 °C