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N-(4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)urea iodide
SpectraBase Compound ID Jh9vbVd72Pf
InChI InChI=1S/C14H19N3O4.HI/c1-17(2)5-4-8-6-9-11(21-7-20-9)12(19-3)10(8)13(17)16-14(15)18;/h6,13H,4-5,7H2,1-3H3,(H2-,15,16,18);1H
InChIKey XWXJNKHODHJMOV-UHFFFAOYSA-N
Mol Weight 421.24 g/mol
Molecular Formula C14H20IN3O4
Exact Mass 421.049851 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IsYVDV2L2Sa
Name N-(4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)urea 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/C14H19N3O4.HI/c1-17(2)5-4-8-6-9-11(21-7-20-9)12(19-3)10(8)13(17)16-14(15)18;/h6,13H,4-5,7H2,1-3H3,(H2-,15,16,18);1H
InChIKey XWXJNKHODHJMOV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1989
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: 401304; Labnumber: RO5-155; SBI_ID: SBI-001991
Temperature 318 °C