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5-butyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
SpectraBase Compound ID I7hmCiKIKf5
InChI InChI=1S/C19H25N3O3/c1-3-4-9-19-12-20-10-18(2,17(19)23)11-21(13-19)16(20)14-5-7-15(8-6-14)22(24)25/h5-8,16H,3-4,9-13H2,1-2H3/t16-,18-,19+
InChIKey JJMXYBGHRHOLLS-LUPIEILUSA-N
Mol Weight 343.43 g/mol
Molecular Formula C19H25N3O3
Exact Mass 343.189592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HU43TuxzwTG
Name 5-butyl-7-methyl-2-(4-nitrophenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-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/C19H25N3O3/c1-3-4-9-19-12-20-10-18(2,17(19)23)11-21(13-19)16(20)14-5-7-15(8-6-14)22(24)25/h5-8,16H,3-4,9-13H2,1-2H3/t16-,18-,19+
InChIKey JJMXYBGHRHOLLS-LUPIEILUSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27225
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: D75679; Labnumber: AENIC71-0600; SBI_ID: SBI-027229
Temperature 306 °C