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2-[3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)prop-2-ynoxy]benzamide
SpectraBase Compound ID 5sItCS4Q3cG
InChI InChI=1S/C22H22N2O5/c1-24-10-9-14-12-18-20(29-13-28-18)21(26-2)19(14)16(24)7-5-11-27-17-8-4-3-6-15(17)22(23)25/h3-4,6,8,12,16H,9-11,13H2,1-2H3,(H2,23,25)
InChIKey DZNYTADGACUPSA-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CYS22roGOsW
Name 2-{[3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-propynyl]oxy}benzamide
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/C22H22N2O5/c1-24-10-9-14-12-18-20(29-13-28-18)21(26-2)19(14)16(24)7-5-11-27-17-8-4-3-6-15(17)22(23)25/h3-4,6,8,12,16H,9-11,13H2,1-2H3,(H2,23,25)
InChIKey DZNYTADGACUPSA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1
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: 201124; Labnumber: NCRRU-002; SBI_ID: SBI-000002
Temperature 318 °C