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piperidinium, 1-[3-(3,4,4a,10b-tetrahydro-2,5,5-trimethyl-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)-2-propynyl]-1-methyl-, iodide

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piperidinium, 1-[3-(3,4,4a,10b-tetrahydro-2,5,5-trimethyl-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)-2-propynyl]-1-methyl-, iodide
SpectraBase Compound ID 23Ss5UQB4yr
InChI InChI=1S/C24H34NO2.HI/c1-23(2)20-13-15-24(3,14-10-18-25(4)16-8-5-9-17-25)27-22(20)19-11-6-7-12-21(19)26-23;/h6-7,11-12,20,22H,5,8-9,13,15-18H2,1-4H3;1H/q+1;/p-1
InChIKey HIRANMDHHYDLKB-UHFFFAOYSA-M
Mol Weight 495.4 g/mol
Molecular Formula C24H34INO2
Exact Mass 495.163424 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Ihy0UOn5lO
Name piperidinium, 1-[3-(3,4,4a,10b-tetrahydro-2,5,5-trimethyl-2H,5H-pyrano[3,2-c][1]benzopyran-2-yl)-2-propynyl]-1-methyl-, iodide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.163424337 u
Formula C24H34INO2
InChI InChI=1S/C24H34NO2.HI/c1-23(2)20-13-15-24(3,14-10-18-25(4)16-8-5-9-17-25)27-22(20)19-11-6-7-12-21(19)26-23;/h6-7,11-12,20,22H,5,8-9,13,15-18H2,1-4H3;1H/q+1;/p-1
InChIKey HIRANMDHHYDLKB-UHFFFAOYSA-M
Molecular Weight 495.445 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_753
Solvent DMSO-d6
Source Vendor ID: NMR/13228949