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2-(4-isopropoxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
SpectraBase Compound ID GufdZcx4ApA
InChI InChI=1S/C21H30N2O2/c1-5-10-21-13-22-11-20(4,19(21)24)12-23(14-21)18(22)16-6-8-17(9-7-16)25-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3/t18-,20-,21+
InChIKey IXVWRHJJUWMWFF-ZKTXZKFHSA-N
Mol Weight 342.48 g/mol
Molecular Formula C21H30N2O2
Exact Mass 342.230728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LvFolXkM9DM
Name 2-(4-isopropoxyphenyl)-5-methyl-7-propyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
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/C21H30N2O2/c1-5-10-21-13-22-11-20(4,19(21)24)12-23(14-21)18(22)16-6-8-17(9-7-16)25-15(2)3/h6-9,15,18H,5,10-14H2,1-4H3/t18-,20-,21+
InChIKey IXVWRHJJUWMWFF-ZKTXZKFHSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1001
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: C94906; Labnumber: AENIC71-0011; SBI_ID: SBI-001003
Temperature 308 °C