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4-butoxy-8-chloro-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID AtD03OVCZTV
InChI InChI=1S/C14H14ClN3O/c1-2-3-6-19-14-13-12(16-8-17-14)10-7-9(15)4-5-11(10)18-13/h4-5,7-8,18H,2-3,6H2,1H3
InChIKey IUZULNKHSDNSAB-UHFFFAOYSA-N
Mol Weight 275.74 g/mol
Molecular Formula C14H14ClN3O
Exact Mass 275.08254 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9fnGtglEAdk
Name 4-butoxy-8-chloro-5H-pyrimido[5,4-b]indole
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/C14H14ClN3O/c1-2-3-6-19-14-13-12(16-8-17-14)10-7-9(15)4-5-11(10)18-13/h4-5,7-8,18H,2-3,6H2,1H3
InChIKey IUZULNKHSDNSAB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3897
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: D99933; Labnumber: SC_0311-1263; SBI_ID: SBI-003899
Synonyms butyl 8-chloro-5H-pyrimido[5,4-b]indol-4-yl ether
Temperature 315 °C