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1-benzyl-4-(4,5-dihydro[1]benzothiepino[5,4-c]isoxazol-3-yl)pyridinium chloride
SpectraBase Compound ID BLbfNyoPAjD
InChI InChI=1S/C23H19N2OS.ClH/c1-2-6-17(7-3-1)16-25-13-10-18(11-14-25)23-20-12-15-27-21-9-5-4-8-19(21)22(20)24-26-23;/h1-11,13-14H,12,15-16H2;1H/q+1;/p-1
InChIKey SJETZQOEQXSTMS-UHFFFAOYSA-M
Mol Weight 406.93 g/mol
Molecular Formula C23H19ClN2OS
Exact Mass 406.090662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EisQCfLqeoR
Name 1-benzyl-4-(4,5-dihydro[1]benzothiepino[5,4-c]isoxazol-3-yl)pyridinium chloride
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/C23H19N2OS.ClH/c1-2-6-17(7-3-1)16-25-13-10-18(11-14-25)23-20-12-15-27-21-9-5-4-8-19(21)22(20)24-26-23;/h1-11,13-14H,12,15-16H2;1H/q+1;/p-1
InChIKey SJETZQOEQXSTMS-UHFFFAOYSA-M
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_16874
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: 987/00004535; Labnumber: 987/00004535218855; VK_ID: VK-016879
Temperature 308 °C