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1-[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-2-oxoethyl]pyridinium iodide
SpectraBase Compound ID EnAx6qoLALu
InChI InChI=1S/C22H28NO.HI/c1-21(2,3)16-13-18(17-9-10-22(4,5)19(17)14-16)20(24)15-23-11-7-6-8-12-23;/h6-8,11-14H,9-10,15H2,1-5H3;1H/q+1;/p-1
InChIKey AVTVLANAESARRX-UHFFFAOYSA-M
Mol Weight 449.38 g/mol
Molecular Formula C22H28INO
Exact Mass 449.12156 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 80ZJ8bi6Ldo
Name 1-[2-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-2-oxoethyl]pyridinium iodide
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/C22H28NO.HI/c1-21(2,3)16-13-18(17-9-10-22(4,5)19(17)14-16)20(24)15-23-11-7-6-8-12-23;/h6-8,11-14H,9-10,15H2,1-5H3;1H/q+1;/p-1
InChIKey AVTVLANAESARRX-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21054
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: D52006; Labnumber: KRON-698; SBI_ID: SBI-021058
Temperature 318 °C