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5-[2-(4-ethylphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
SpectraBase Compound ID 6L3O0KHVq23
InChI InChI=1S/C23H28NO4.HI/c1-5-15-6-8-16(9-7-15)19(25)13-18-21-17(10-11-24(18,2)3)12-20-22(23(21)26-4)28-14-27-20;/h6-9,12,18H,5,10-11,13-14H2,1-4H3;1H/q+1;/p-1
InChIKey BSNGVBMXJFCXPJ-UHFFFAOYSA-M
Mol Weight 509.38 g/mol
Molecular Formula C23H28INO4
Exact Mass 509.106303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6fypwxf8CKn
Name 5-[2-(4-ethylphenyl)-2-oxoethyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium 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/C23H28NO4.HI/c1-5-15-6-8-16(9-7-15)19(25)13-18-21-17(10-11-24(18,2)3)12-20-22(23(21)26-4)28-14-27-20;/h6-9,12,18H,5,10-11,13-14H2,1-4H3;1H/q+1;/p-1
InChIKey BSNGVBMXJFCXPJ-UHFFFAOYSA-M
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3601
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: 116009; Labnumber: NC98SP32-1101; VK_ID: VK-003602
Temperature 315 °C