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6,6-dimethyl-2-(4-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
SpectraBase Compound ID 2PMwoKCmHCC
InChI InChI=1S/C17H22N4O4/c1-12-4-6-13(7-5-12)14-18-8-16(20(22)23)9-19(14)11-17(10-18,21(24)25)15(16,2)3/h4-7,14H,8-11H2,1-3H3/t14-,16-,17+
InChIKey HXWLGAKFZXCLOH-XGBSXSJOSA-N
Mol Weight 346.39 g/mol
Molecular Formula C17H22N4O4
Exact Mass 346.164105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cll30FCekLr
Name 6,6-dimethyl-2-(4-methylphenyl)-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]decane
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/C17H22N4O4/c1-12-4-6-13(7-5-12)14-18-8-16(20(22)23)9-19(14)11-17(10-18,21(24)25)15(16,2)3/h4-7,14H,8-11H2,1-3H3/t14-,16-,17+
InChIKey HXWLGAKFZXCLOH-XGBSXSJOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15598
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: C74315; Labnumber: AENIC7-911; SBI_ID: SBI-015601
Temperature 308 °C