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(3E)-3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-3-penten-2-one hydrochloride

View entire compound with spectra: 1 NMR

(3E)-3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-3-penten-2-one hydrochloride
SpectraBase Compound ID K0e8Hyfn8RE
InChI InChI=1S/C12H12N2O2S.ClH/c1-7(15)11(8(2)16)17-12-13-9-5-3-4-6-10(9)14-12;/h3-6,15H,1-2H3,(H,13,14);1H/b11-7+;
InChIKey XKQDRVQVFMXTIO-RVDQCCQOSA-N
Mol Weight 284.76 g/mol
Molecular Formula C12H13ClN2O2S
Exact Mass 284.038627 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LketZkd1taG
Name (3E)-3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-3-penten-2-one hydrochloride
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/C12H12N2O2S.ClH/c1-7(15)11(8(2)16)17-12-13-9-5-3-4-6-10(9)14-12;/h3-6,15H,1-2H3,(H,13,14);1H/b11-7+;
InChIKey XKQDRVQVFMXTIO-RVDQCCQOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15817
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: 987/00002677; Labnumber: 987/00002677218832; VK_ID: VK-015822
Synonyms 3-(1H-benzimidazol-2-ylsulfanyl)-4-hydroxy-3-penten-2-one hydrochloride
Temperature 308 °C