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(9S)-11-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-6-oxo-7-aza-11-azoniatricyclo[7.3.1.0~2,7~]trideca-2,4-diene chloride

View entire compound with spectra: 1 NMR

(9S)-11-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-6-oxo-7-aza-11-azoniatricyclo[7.3.1.0~2,7~]trideca-2,4-diene chloride
SpectraBase Compound ID BLNjXUERdc7
InChI InChI=1S/C23H25N3O2.ClH/c1-15-23(18-6-3-4-7-20(18)24(15)2)21(27)14-25-11-16-10-17(13-25)19-8-5-9-22(28)26(19)12-16;/h3-9,16-17H,10-14H2,1-2H3;1H
InChIKey KLCTZBVNXXOVPQ-UHFFFAOYSA-N
Mol Weight 411.93 g/mol
Molecular Formula C23H26ClN3O2
Exact Mass 411.171355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ZZ7S9IUIDN
Name (9S)-11-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-6-oxo-7-aza-11-azoniatricyclo[7.3.1.0~2,7~]trideca-2,4-diene chloride
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/C23H25N3O2.ClH/c1-15-23(18-6-3-4-7-20(18)24(15)2)21(27)14-25-11-16-10-17(13-25)19-8-5-9-22(28)26(19)12-16;/h3-9,16-17H,10-14H2,1-2H3;1H
InChIKey KLCTZBVNXXOVPQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13479
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: 102091; Labnumber: PRBS3-411-0292; VK_ID: VK-013484
Synonyms 11-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]-6-oxo-7-aza-11-azoniatricyclo[7.3.1.0~2,7~]trideca-2,4-diene chloride
Temperature 308 °C