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4H-pyrimido[5,4-b]indol-4-one, 8-chloro-3,5-dihydro-3-[3-(propylthio)propyl]-
SpectraBase Compound ID AAKuei9JTv
InChI InChI=1S/C16H18ClN3OS/c1-2-7-22-8-3-6-20-10-18-14-12-9-11(17)4-5-13(12)19-15(14)16(20)21/h4-5,9-10,19H,2-3,6-8H2,1H3
InChIKey JLSIXXRMYBBOQO-UHFFFAOYSA-N
Mol Weight 335.85 g/mol
Molecular Formula C16H18ClN3OS
Exact Mass 335.085911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dw9iw9vhokp
Name 4H-pyrimido[5,4-b]indol-4-one, 8-chloro-3,5-dihydro-3-[3-(propylthio)propyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.085911085 u
Formula C16H18ClN3OS
InChI InChI=1S/C16H18ClN3OS/c1-2-7-22-8-3-6-20-10-18-14-12-9-11(17)4-5-13(12)19-15(14)16(20)21/h4-5,9-10,19H,2-3,6-8H2,1H3
InChIKey JLSIXXRMYBBOQO-UHFFFAOYSA-N
Molecular Weight 335.853 g/mol
NMR Offset 17.9973
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8111
Solvent DMSO-d6
Source Vendor ID: NMR/13309135