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4-hexahydro-1H-azepin-1-yl-8-methyl-5H-pyrimido[5,4-b]indole

View entire compound with spectra: 1 NMR

4-hexahydro-1H-azepin-1-yl-8-methyl-5H-pyrimido[5,4-b]indole
SpectraBase Compound ID BMwaEB5TNa8
InChI InChI=1S/C17H20N4/c1-12-6-7-14-13(10-12)15-16(20-14)17(19-11-18-15)21-8-4-2-3-5-9-21/h6-7,10-11,20H,2-5,8-9H2,1H3
InChIKey OOCYOQPXYLFKIH-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C17H20N4
Exact Mass 280.168797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GqVmyGSiDAR
Name 4-hexahydro-1H-azepin-1-yl-8-methyl-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/C17H20N4/c1-12-6-7-14-13(10-12)15-16(20-14)17(19-11-18-15)21-8-4-2-3-5-9-21/h6-7,10-11,20H,2-5,8-9H2,1H3
InChIKey OOCYOQPXYLFKIH-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11348
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: 802154; Labnumber: PRBS12-3-3648; VK_ID: VK-011353
Temperature 313 °C