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1-(2-furoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
SpectraBase Compound ID A6LZQNPqlgs
InChI InChI=1S/C17H20N2O2S/c1-22-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-21-16/h2-7,12H,8-11,13H2,1H3/p+1
InChIKey LBUNEGNHIQIYDL-UHFFFAOYSA-O
Mol Weight 317.43 g/mol
Molecular Formula C17H21N2O2S
Exact Mass 317.132374 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7DVlbdxJIm
Name 1-(2-furoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
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/C17H20N2O2S/c1-22-15-6-4-14(5-7-15)13-18-8-10-19(11-9-18)17(20)16-3-2-12-21-16/h2-7,12H,8-11,13H2,1H3/p+1
InChIKey LBUNEGNHIQIYDL-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13735
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/9311798; UBI_ID: UBI-013738
Temperature 308 °C