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9-chloro-3-[2-(4-methoxyphenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID IPE5QmBzmZw
InChI InChI=1S/C19H16ClN3O2/c1-25-13-7-5-12(6-8-13)9-10-23-11-21-17-16-14(20)3-2-4-15(16)22-18(17)19(23)24/h2-8,11,22H,9-10H2,1H3
InChIKey BOONAXSJDXOPRF-UHFFFAOYSA-N
Mol Weight 353.81 g/mol
Molecular Formula C19H16ClN3O2
Exact Mass 353.093104 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Gydn6M1PsT
Name 9-chloro-3-[2-(4-methoxyphenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-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/C19H16ClN3O2/c1-25-13-7-5-12(6-8-13)9-10-23-11-21-17-16-14(20)3-2-4-15(16)22-18(17)19(23)24/h2-8,11,22H,9-10H2,1H3
InChIKey BOONAXSJDXOPRF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13719
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: D88771; Labnumber: SIMAK-01922; SBI_ID: SBI-013722
Temperature 306 °C