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

*Links on SpectraBase are not permalinks.
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-furylmethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID EPcmAF3nbUx
InChI InChI=1S/C19H15F3N4O2S/c1-2-12(23-10-11-6-5-9-28-11)15-16(19(20,21)22)25-26(17(15)27)18-24-13-7-3-4-8-14(13)29-18/h3-9,23H,2,10H2,1H3/b15-12+
InChIKey KKBMHWBEQANCMU-NTCAYCPXSA-N
Mol Weight 420.41 g/mol
Molecular Formula C19H15F3N4O2S
Exact Mass 420.086781 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 9ZcX1dn98F2
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-furylmethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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/C19H15F3N4O2S/c1-2-12(23-10-11-6-5-9-28-11)15-16(19(20,21)22)25-26(17(15)27)18-24-13-7-3-4-8-14(13)29-18/h3-9,23H,2,10H2,1H3/b15-12+
InChIKey KKBMHWBEQANCMU-NTCAYCPXSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_1250
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: 700692VOR8-8563; Labnumber: 700692VOR8-8563; VK_ID: VK-001251
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-furylmethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C