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1H-pyrido[3,4-b]indole, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-2-(4-methylbenzoyl)-
SpectraBase Compound ID 51KrQfPK1oS
InChI InChI=1S/C26H22N2O3/c1-16-6-8-17(9-7-16)26(29)28-13-12-20-19-4-2-3-5-21(19)27-24(20)25(28)18-10-11-22-23(14-18)31-15-30-22/h2-11,14,25,27H,12-13,15H2,1H3
InChIKey CJLQQHJFIKBSNX-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C26H22N2O3
Exact Mass 410.163043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5PweNXCylex
Name 1H-pyrido[3,4-b]indole, 1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-2-(4-methylbenzoyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.163042573 u
Formula C26H22N2O3
InChI InChI=1S/C26H22N2O3/c1-16-6-8-17(9-7-16)26(29)28-13-12-20-19-4-2-3-5-21(19)27-24(20)25(28)18-10-11-22-23(14-18)31-15-30-22/h2-11,14,25,27H,12-13,15H2,1H3
InChIKey CJLQQHJFIKBSNX-UHFFFAOYSA-N
Molecular Weight 410.473 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1378
Solvent DMSO-d6
Source Vendor ID: ZI/8010808; Lab Info: AGAF; Lab Number: AGAF-0000087
Temperature 23.85 °C