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5-butyl-7-methyl-2-(5-nitro-2-furyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
SpectraBase Compound ID JOYquRXEatz
InChI InChI=1S/C17H23N3O4/c1-3-4-7-17-10-18-8-16(2,15(17)21)9-19(11-17)14(18)12-5-6-13(24-12)20(22)23/h5-6,14H,3-4,7-11H2,1-2H3/t14-,16-,17+
InChIKey ZYWXANNVIRPTCP-XGBSXSJOSA-N
Mol Weight 333.39 g/mol
Molecular Formula C17H23N3O4
Exact Mass 333.168856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xKL7Oa5ddE
Name 5-butyl-7-methyl-2-(5-nitro-2-furyl)-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/C17H23N3O4/c1-3-4-7-17-10-18-8-16(2,15(17)21)9-19(11-17)14(18)12-5-6-13(24-12)20(22)23/h5-6,14H,3-4,7-11H2,1-2H3/t14-,16-,17+
InChIKey ZYWXANNVIRPTCP-XGBSXSJOSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27224
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: D75678; Labnumber: AENIC71-0599; SBI_ID: SBI-027228
Temperature 306 °C