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1(3H)-isobenzofuranone, 4,5,6-triethoxy-7-[[[1-(phenylmethyl)-1H-benzimidazol-2-yl]thio]methyl]-
SpectraBase Compound ID Hta9xN1SKcG
InChI InChI=1S/C29H30N2O5S/c1-4-33-25-20-17-36-28(32)24(20)21(26(34-5-2)27(25)35-6-3)18-37-29-30-22-14-10-11-15-23(22)31(29)16-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3
InChIKey DVNRBIVIUHDOKA-UHFFFAOYSA-N
Mol Weight 518.63 g/mol
Molecular Formula C29H30N2O5S
Exact Mass 518.187543 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8olV51v1qdt
Name 1(3H)-isobenzofuranone, 4,5,6-triethoxy-7-[[[1-(phenylmethyl)-1H-benzimidazol-2-yl]thio]methyl]-
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/C29H30N2O5S/c1-4-33-25-20-17-36-28(32)24(20)21(26(34-5-2)27(25)35-6-3)18-37-29-30-22-14-10-11-15-23(22)31(29)16-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3
InChIKey DVNRBIVIUHDOKA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4848
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: NMR/17241970; Labnumber: 21c5437